2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine

C16H30N4 — CID 79051819

IUPAC2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(N)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H30N4/c1-4-10-19-13-9-18-15(19)14(17)16(2,3)20-11-7-5-6-8-12-20/h9,13-14H,4-8,10-12,17H2,1-3H3
InChIKeyZKMKNUOIFGXPBU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds5

About 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine

2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 79051819) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID79051819
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(N)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H30N4/c1-4-10-19-13-9-18-15(19)14(17)16(2,3)20-11-7-5-6-8-12-20/h9,13-14H,4-8,10-12,17H2,1-3H3
InChIKeyZKMKNUOIFGXPBU-UHFFFAOYSA-N
XLogP2.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056883
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051030
3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79751932
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine
CID 79061867
N-ethyl-2-methyl-2-morpholin-4-yl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051327
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79050671
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
[3,3-dimethyl-1-(1-propylimidazol-2-yl)butyl]hydrazine
CID 105220315
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine (CID 79051819) is 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1C(N)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is ZKMKNUOIFGXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-10-19-13-9-18-15(19)14(17)16(2,3)20-11-7-5-6-8-12-20/h9,13-14H,4-8,10-12,17H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 79051819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).