N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)

C44H94N6Y3-6 — CID 161369858

IUPACN,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.[CH2-]CCN([CH2-])C(C)C.[CH2-]CN(C[CH2-])C(C)C.[CH2-]CN([CH2-])C(C)C.[Y].[Y].[Y]
InChIInChI=1S/C9H19N.C8H17N.3C7H15N.C6H13N.3Y/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5-6-8(4)7(2)3;1-5-8(6-2)7(3)4;1-5-7(4)6(2)3;;;/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,1,4-6H2,2-3H3;7H,1-2,5-6H2,3-4H3;6H,1,4-5H2,2-3H3;;;/q;;;3*-2;;;
InChIKeyKJZMBKMQXSGSTF-UHFFFAOYSA-N
MW974.00 g/mol
LogP10.03
Rot. Bonds11

About N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)

N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium) (PubChem CID 161369858) has the molecular formula C44H94N6Y3-6 and a molecular weight of 974.00 g/mol. Its IUPAC name is N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium).

Molecular Properties

Compound NameN,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)
PubChem CID161369858
Molecular FormulaC44H94N6Y3-6
Molecular Weight974.00 g/mol
Exact Mass973.47
IUPAC NameN,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.[CH2-]CCN([CH2-])C(C)C.[CH2-]CN(C[CH2-])C(C)C.[CH2-]CN([CH2-])C(C)C.[Y].[Y].[Y]
InChIInChI=1S/C9H19N.C8H17N.3C7H15N.C6H13N.3Y/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5-6-8(4)7(2)3;1-5-8(6-2)7(3)4;1-5-7(4)6(2)3;;;/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,1,4-6H2,2-3H3;7H,1-2,5-6H2,3-4H3;6H,1,4-5H2,2-3H3;;;/q;;;3*-2;;;
InChIKeyKJZMBKMQXSGSTF-UHFFFAOYSA-N
XLogP10.03
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.00
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium) with MolForge

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Related Compounds

1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
N-ethyl-N-methylethanamine;N-methanidyl-N-methylethanamine;N-methanidyl-N-methylpropan-1-amine;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine;tris(yttrium)
CID 158691210
1-Methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159900388
Bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
CID 160089007
1-Propan-2-ylazepane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 160269195
3,8-Di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
CID 167586028

Frequently Asked Questions

What is the IUPAC name of N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)?
The IUPAC name of N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium) (CID 161369858) is N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium).
What is the SMILES notation for N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)?
The canonical SMILES for N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium) is CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.[CH2-]CCN([CH2-])C(C)C.[CH2-]CN(C[CH2-])C(C)C.[CH2-]CN([CH2-])C(C)C.[Y].[Y].[Y].
What is the InChIKey of N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)?
The InChIKey is KJZMBKMQXSGSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17N.3C7H15N.C6H13N.3Y/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5-6-8(4)7(2)3;1-5-8(6-2)7(3)4;1-5-7(4)6(2)3;;;/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,1,4-6H2,2-3H3;7H,1-2,5-6H2,3-4H3;6H,1,4-5H2,2-3H3;;;/q;;;3*-2;;;.
What are the key properties of N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium)?
N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium) has a molecular weight of 974.00 g/mol, XLogP of 10.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(ethyl)propan-2-amine;N-ethyl-N-methanidylpropan-2-amine;N-methanidyl-N-propylpropan-2-amine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;tris(yttrium) is sourced from PubChem (CID 161369858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).