(4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone

C23H30N2O — CID 170293449

IUPAC(4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone
SMILESCc1ccc(C2C=CC=CC2)c(C2CC2C(=O)N2CCCC(N)CC2)c1
InChIInChI=1S/C23H30N2O/c1-16-9-10-19(17-6-3-2-4-7-17)20(14-16)21-15-22(21)23(26)25-12-5-8-18(24)11-13-25/h2-4,6,9-10,14,17-18,21-22H,5,7-8,11-13,15,24H2,1H3
InChIKeyZJYWPNLBCBHACC-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.04
Rot. Bonds3

About (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone

(4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone (PubChem CID 170293449) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone
PubChem CID170293449
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone
SMILESCc1ccc(C2C=CC=CC2)c(C2CC2C(=O)N2CCCC(N)CC2)c1
InChIInChI=1S/C23H30N2O/c1-16-9-10-19(17-6-3-2-4-7-17)20(14-16)21-15-22(21)23(26)25-12-5-8-18(24)11-13-25/h2-4,6,9-10,14,17-18,21-22H,5,7-8,11-13,15,24H2,1H3
InChIKeyZJYWPNLBCBHACC-UHFFFAOYSA-N
XLogP4.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone 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

(4-aminoazepan-1-yl)-[2-[2-(2,3-difluorocyclohexa-2,4-dien-1-yl)phenyl]cyclopropyl]methanone
CID 170293185
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 119412430
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
N-[(4R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)-4-methylphenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176849009
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 100644316
(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584464
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen
CID 142165493
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
(3-aminopiperidin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 119377556

Frequently Asked Questions

What is the IUPAC name of (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone?
The IUPAC name of (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone (CID 170293449) is (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone is Cc1ccc(C2C=CC=CC2)c(C2CC2C(=O)N2CCCC(N)CC2)c1.
What is the InChIKey of (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone?
The InChIKey is ZJYWPNLBCBHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16-9-10-19(17-6-3-2-4-7-17)20(14-16)21-15-22(21)23(26)25-12-5-8-18(24)11-13-25/h2-4,6,9-10,14,17-18,21-22H,5,7-8,11-13,15,24H2,1H3.
What are the key properties of (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone?
(4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone has a molecular weight of 350.51 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoazepan-1-yl)-[2-(2-cyclohexa-2,4-dien-1-yl-5-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 170293449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).