trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine

C11H16N2 — CID 178138504

IUPACtrans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
SMILESN[C@@H]1CC[C@@H](Nc2ccccc2)C1
InChIInChI=1S/C11H16N2/c12-9-6-7-11(8-9)13-10-4-2-1-3-5-10/h1-5,9,11,13H,6-8,12H2/t9-,11-/m1/s1
InChIKeyPYCBTVAQTFANDU-MWLCHTKSSA-N
MW176.26 g/mol
LogP1.98
Rot. Bonds2

About trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine

trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine (PubChem CID 178138504) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
PubChem CID178138504
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nametrans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
SMILESN[C@@H]1CC[C@@H](Nc2ccccc2)C1
InChIInChI=1S/C11H16N2/c12-9-6-7-11(8-9)13-10-4-2-1-3-5-10/h1-5,9,11,13H,6-8,12H2/t9-,11-/m1/s1
InChIKeyPYCBTVAQTFANDU-MWLCHTKSSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-3-N-phenylcyclopentane-1,3-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

3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
N-cyclopropylaniline;hydrochloride
CID 44717153
3-N-(9H-fluoren-2-yl)cyclopentane-1,3-diamine
CID 79461943
3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
CID 79462759
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79462283
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine
CID 80559283
3-[(3-aminocyclopentyl)amino]-N,N-dimethylbenzamide
CID 79461660
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
CID 81260171
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine?
The IUPAC name of trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine (CID 178138504) is trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine?
The canonical SMILES for trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine is N[C@@H]1CC[C@@H](Nc2ccccc2)C1.
What is the InChIKey of trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine?
The InChIKey is PYCBTVAQTFANDU-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H16N2/c12-9-6-7-11(8-9)13-10-4-2-1-3-5-10/h1-5,9,11,13H,6-8,12H2/t9-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine?
trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine is sourced from PubChem (CID 178138504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).