cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine

C17H28N2 — CID 96555697

IUPACcis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H28N2/c1-14(2)19(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)18-3/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyJDKQBFSTIDIKID-DLBZAZTESA-N
MW260.43 g/mol
LogP3.43
Rot. Bonds5

About cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine

cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 96555697) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
PubChem CID96555697
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Namecis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H28N2/c1-14(2)19(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)18-3/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyJDKQBFSTIDIKID-DLBZAZTESA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine with MolForge

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Related Compounds

2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293
2-amino-N-[(2S)-2-[benzyl(propan-2-yl)amino]cyclohexyl]-3-methylbutanamide
CID 121226052
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(propan-2-yl)amino]cyclohexyl]-3-methylbutanamide
CID 96552117
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
CID 55094082
1-N-benzyl-1-N,2-N-dimethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 170668939
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 82948123
2-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclohexyl]-propan-2-ylamino]acetic acid
CID 124859504
benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 124746821
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
CID 66569376
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine (CID 96555697) is cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine is CN[C@H]1CCCC[C@H]1N(Cc1ccccc1)C(C)C.
What is the InChIKey of cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is JDKQBFSTIDIKID-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)19(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)18-3/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 96555697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).