N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium

C14H28N2Y-2 — CID 156707002

IUPACN-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium
SMILES[CH2-]CN(C[C-]1CCN(C(C)C)CC1)C(C)C.[Y]
InChIInChI=1S/C14H28N2.Y/c1-6-15(12(2)3)11-14-7-9-16(10-8-14)13(4)5;/h12-13H,1,6-11H2,2-5H3;/q-2;
InChIKeyUFQGGPRTSZCHTA-UHFFFAOYSA-N
MW313.30 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium

N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium (PubChem CID 156707002) has the molecular formula C14H28N2Y-2 and a molecular weight of 313.30 g/mol. Its IUPAC name is N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium.

Molecular Properties

Compound NameN-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium
PubChem CID156707002
Molecular FormulaC14H28N2Y-2
Molecular Weight313.30 g/mol
Exact Mass313.13
IUPAC NameN-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium
SMILES[CH2-]CN(C[C-]1CCN(C(C)C)CC1)C(C)C.[Y]
InChIInChI=1S/C14H28N2.Y/c1-6-15(12(2)3)11-14-7-9-16(10-8-14)13(4)5;/h12-13H,1,6-11H2,2-5H3;/q-2;
InChIKeyUFQGGPRTSZCHTA-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium
CID 153499368
1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium
CID 170616846
N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))
CID 162074386
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium
CID 176740501
ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 142573783
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
CID 159892581
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten
CID 156621455
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
magnesium;1-propan-2-ylpiperidin-4-ide;chloride
CID 88688532
1-propan-2-ylpiperidine;hydrobromide
CID 44887258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium?
The IUPAC name of N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium (CID 156707002) is N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium.
What is the SMILES notation for N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium?
The canonical SMILES for N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium is [CH2-]CN(C[C-]1CCN(C(C)C)CC1)C(C)C.[Y].
What is the InChIKey of N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium?
The InChIKey is UFQGGPRTSZCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.Y/c1-6-15(12(2)3)11-14-7-9-16(10-8-14)13(4)5;/h12-13H,1,6-11H2,2-5H3;/q-2;.
What are the key properties of N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium?
N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium has a molecular weight of 313.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium is sourced from PubChem (CID 156707002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).