N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C44H102N10O — CID 158977809

IUPACN,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N=C(N)N.CCN(CC)C(C)C
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N.C7H17N.C4H11N3.C3H9N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-3(2)7-4(5)6;1-3(2)4/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;3H,1-2H3,(H4,5,6,7);3H,4H2,1-2H3
InChIKeyJOPOOSJNNNGNJD-UHFFFAOYSA-N
MW787.37 g/mol
LogP6.50
Rot. Bonds8

About N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158977809) has the molecular formula C44H102N10O and a molecular weight of 787.37 g/mol. Its IUPAC name is N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound NameN,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158977809
Molecular FormulaC44H102N10O
Molecular Weight787.37 g/mol
Exact Mass786.82
IUPAC NameN,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N=C(N)N.CCN(CC)C(C)C
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N.C7H17N.C4H11N3.C3H9N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-3(2)7-4(5)6;1-3(2)4/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;3H,1-2H3,(H4,5,6,7);3H,4H2,1-2H3
InChIKeyJOPOOSJNNNGNJD-UHFFFAOYSA-N
XLogP6.50
TPSA119.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.37
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158977809) is N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N=C(N)N.CCN(CC)C(C)C.
What is the InChIKey of N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is JOPOOSJNNNGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N.C7H17N.C4H11N3.C3H9N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-3(2)7-4(5)6;1-3(2)4/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;3H,1-2H3,(H4,5,6,7);3H,4H2,1-2H3.
What are the key properties of N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 787.37 g/mol, XLogP of 6.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158977809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).