1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine

C16H30N4 — CID 66164373

IUPAC1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
SMILESCC(C)CN1CCCCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C16H30N4/c1-12(2)10-19-8-6-5-7-14(17)16(19)15-9-18-11-20(15)13(3)4/h9,11-14,16H,5-8,10,17H2,1-4H3
InChIKeyJSDMIJXNEFOZMB-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine

1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine (PubChem CID 66164373) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
PubChem CID66164373
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
SMILESCC(C)CN1CCCCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C16H30N4/c1-12(2)10-19-8-6-5-7-14(17)16(19)15-9-18-11-20(15)13(3)4/h9,11-14,16H,5-8,10,17H2,1-4H3
InChIKeyJSDMIJXNEFOZMB-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)piperidin-3-amine
CID 66162586
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66163787
2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
CID 66163186
1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
CID 66163591
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
[1-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methanamine
CID 66163581
2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine
CID 79365132
6-amino-7-(3-cyclopropylimidazol-4-yl)-1-(2-methylpropyl)azepan-2-one
CID 66163552
2-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)azepan-3-amine
CID 81159300
2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine
CID 79978225
5-[2-(chloromethyl)cyclopropyl]-1-propan-2-ylimidazole
CID 81358333
[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine
CID 79368224

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
The IUPAC name of 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine (CID 66164373) is 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
The canonical SMILES for 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine is CC(C)CN1CCCCC(N)C1c1cncn1C(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
The InChIKey is JSDMIJXNEFOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)10-19-8-6-5-7-14(17)16(19)15-9-18-11-20(15)13(3)4/h9,11-14,16H,5-8,10,17H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine is sourced from PubChem (CID 66164373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).