cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine

C11H18N2O — CID 124676095

IUPACcis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@H]1NCc1ccco1
InChIInChI=1S/C11H18N2O/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7,10-11,13H,1-2,5-6,8,12H2/t10-,11+/m0/s1
InChIKeyOJAKRWMKSPPCLX-WDEREUQCSA-N
MW194.28 g/mol
LogP1.64
Rot. Bonds3

About cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine

cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 124676095) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID124676095
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@H]1NCc1ccco1
InChIInChI=1S/C11H18N2O/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7,10-11,13H,1-2,5-6,8,12H2/t10-,11+/m0/s1
InChIKeyOJAKRWMKSPPCLX-WDEREUQCSA-N
XLogP1.64
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-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-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18558678

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine (CID 124676095) is cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine is N[C@H]1CCCC[C@H]1NCc1ccco1.
What is the InChIKey of cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is OJAKRWMKSPPCLX-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7,10-11,13H,1-2,5-6,8,12H2/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine?
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 124676095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).