2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine

C17H32N4 — CID 66163414

IUPAC2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
SMILESCCCC1CCCN(C(CN)c2cncn2C(C)C)CC1
InChIInChI=1S/C17H32N4/c1-4-6-15-7-5-9-20(10-8-15)16(11-18)17-12-19-13-21(17)14(2)3/h12-16H,4-11,18H2,1-3H3
InChIKeySWPQFVQZHVPLDD-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.37
Rot. Bonds6

About 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine

2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine (PubChem CID 66163414) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
PubChem CID66163414
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
SMILESCCCC1CCCN(C(CN)c2cncn2C(C)C)CC1
InChIInChI=1S/C17H32N4/c1-4-6-15-7-5-9-20(10-8-15)16(11-18)17-12-19-13-21(17)14(2)3/h12-16H,4-11,18H2,1-3H3
InChIKeySWPQFVQZHVPLDD-UHFFFAOYSA-N
XLogP3.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131010
2-(3-propylimidazol-4-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 66130807
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 106586426
2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-(4-ethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131009
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163612
1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66164594
2-(2-methylmorpholin-4-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66162994
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66164793
2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 66141630
2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131413
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
CID 106590501

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine (CID 66163414) is 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine is CCCC1CCCN(C(CN)c2cncn2C(C)C)CC1.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine?
The InChIKey is SWPQFVQZHVPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-6-15-7-5-9-20(10-8-15)16(11-18)17-12-19-13-21(17)14(2)3/h12-16H,4-11,18H2,1-3H3.
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine?
2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine is sourced from PubChem (CID 66163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).