2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine

C17H30N4 — CID 66141630

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
SMILESCC(C)C1CCCN(C(CN)c2cncn2C2CC2)CC1
InChIInChI=1S/C17H30N4/c1-13(2)14-4-3-8-20(9-7-14)16(10-18)17-11-19-12-21(17)15-5-6-15/h11-16H,3-10,18H2,1-2H3
InChIKeySYHVWWBYRHKGRP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.98
Rot. Bonds5

About 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine

2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine (PubChem CID 66141630) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
PubChem CID66141630
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
SMILESCC(C)C1CCCN(C(CN)c2cncn2C2CC2)CC1
InChIInChI=1S/C17H30N4/c1-13(2)14-4-3-8-20(9-7-14)16(10-18)17-11-19-12-21(17)15-5-6-15/h11-16H,3-10,18H2,1-2H3
InChIKeySYHVWWBYRHKGRP-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531900
2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964895
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-cyclopropylimidazol-4-yl)ethanamine
CID 66139830
2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 83088760
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
CID 66163414
2-(4-ethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131009
2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131010
2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine (CID 66141630) is 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine is CC(C)C1CCCN(C(CN)c2cncn2C2CC2)CC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The InChIKey is SYHVWWBYRHKGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)14-4-3-8-20(9-7-14)16(10-18)17-11-19-12-21(17)15-5-6-15/h11-16H,3-10,18H2,1-2H3.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine is sourced from PubChem (CID 66141630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).