4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine

C19H30N2 — CID 65083445

IUPAC4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C19H30N2/c1-2-16-7-5-8-17(12-11-16)20-18-9-6-10-19(15-18)21-13-3-4-14-21/h6,9-10,15-17,20H,2-5,7-8,11-14H2,1H3
InChIKeyPKSSHWCFBRWPGR-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.06
Rot. Bonds4

About 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine

4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine (PubChem CID 65083445) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
PubChem CID65083445
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C19H30N2/c1-2-16-7-5-8-17(12-11-16)20-18-9-6-10-19(15-18)21-13-3-4-14-21/h6,9-10,15-17,20H,2-5,7-8,11-14H2,1H3
InChIKeyPKSSHWCFBRWPGR-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-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-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80560827
N-(4-ethylcyclohexyl)-3-imidazol-1-ylaniline
CID 43678323
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 60942193
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine (CID 65083445) is 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine is CCC1CCCC(Nc2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine?
The InChIKey is PKSSHWCFBRWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-16-7-5-8-17(12-11-16)20-18-9-6-10-19(15-18)21-13-3-4-14-21/h6,9-10,15-17,20H,2-5,7-8,11-14H2,1H3.
What are the key properties of 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine?
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65083445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).