1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine

C21H28N2 — CID 23154294

IUPAC1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
SMILESCC(NC1CCCC1NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2/c1-16(18-10-5-3-6-11-18)22-20-14-9-15-21(20)23-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17,20-23H,9,14-15H2,1-2H3
InChIKeyRRQDNKPECUJXQX-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.61
Rot. Bonds6

About 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine

1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine (PubChem CID 23154294) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
PubChem CID23154294
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
SMILESCC(NC1CCCC1NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2/c1-16(18-10-5-3-6-11-18)22-20-14-9-15-21(20)23-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17,20-23H,9,14-15H2,1-2H3
InChIKeyRRQDNKPECUJXQX-UHFFFAOYSA-N
XLogP4.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine 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

cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine (CID 23154294) is 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine is CC(NC1CCCC1NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine?
The InChIKey is RRQDNKPECUJXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-16(18-10-5-3-6-11-18)22-20-14-9-15-21(20)23-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17,20-23H,9,14-15H2,1-2H3.
What are the key properties of 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine?
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine has a molecular weight of 308.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 23154294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).