cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine

C18H28N2O — CID 124857330

IUPACcis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
SMILESN[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C18H28N2O/c19-15-9-6-11-16(15)20-17-10-4-5-12-18(17)21-13-14-7-2-1-3-8-14/h1-3,7-8,15-18,20H,4-6,9-13,19H2/t15-,16+,17+,18+/m1/s1
InChIKeyBQZDRKHCINCMRB-OWSLCNJRSA-N
MW288.43 g/mol
LogP2.98
Rot. Bonds5

About cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine

cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine (PubChem CID 124857330) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
PubChem CID124857330
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Namecis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
SMILESN[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C18H28N2O/c19-15-9-6-11-16(15)20-17-10-4-5-12-18(17)21-13-14-7-2-1-3-8-14/h1-3,7-8,15-18,20H,4-6,9-13,19H2/t15-,16+,17+,18+/m1/s1
InChIKeyBQZDRKHCINCMRB-OWSLCNJRSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]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

trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine (CID 124857330) is cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine is N[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine?
The InChIKey is BQZDRKHCINCMRB-OWSLCNJRSA-N. The full InChI is InChI=1S/C18H28N2O/c19-15-9-6-11-16(15)20-17-10-4-5-12-18(17)21-13-14-7-2-1-3-8-14/h1-3,7-8,15-18,20H,4-6,9-13,19H2/t15-,16+,17+,18+/m1/s1.
What are the key properties of cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine?
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 124857330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).