N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine

C16H31N3 — CID 105012472

IUPACN-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
SMILESCCCCCC(Cc1nccn1CCC)NCCC
InChIInChI=1S/C16H31N3/c1-4-7-8-9-15(17-10-5-2)14-16-18-11-13-19(16)12-6-3/h11,13,15,17H,4-10,12,14H2,1-3H3
InChIKeyPLJQWFJVTAPIGS-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.78
Rot. Bonds11

About N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine

N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine (PubChem CID 105012472) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
PubChem CID105012472
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
SMILESCCCCCC(Cc1nccn1CCC)NCCC
InChIInChI=1S/C16H31N3/c1-4-7-8-9-15(17-10-5-2)14-16-18-11-13-19(16)12-6-3/h11,13,15,17H,4-10,12,14H2,1-3H3
InChIKeyPLJQWFJVTAPIGS-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine?
The IUPAC name of N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine (CID 105012472) is N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine.
What is the SMILES notation for N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine?
The canonical SMILES for N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine is CCCCCC(Cc1nccn1CCC)NCCC.
What is the InChIKey of N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine?
The InChIKey is PLJQWFJVTAPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-7-8-9-15(17-10-5-2)14-16-18-11-13-19(16)12-6-3/h11,13,15,17H,4-10,12,14H2,1-3H3.
What are the key properties of N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine?
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine is sourced from PubChem (CID 105012472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).