(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine

C21H27N — CID 150583379

IUPAC(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
SMILESCC1CCC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H27N/c1-18-9-8-14-21(15-18)22(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3/t18?,21-/m1/s1
InChIKeyIOHZNPMCNJWYGU-BDPMCISCSA-N
MW293.45 g/mol
LogP5.27
Rot. Bonds5

About (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine

(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine (PubChem CID 150583379) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
PubChem CID150583379
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
SMILESCC1CCC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H27N/c1-18-9-8-14-21(15-18)22(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3/t18?,21-/m1/s1
InChIKeyIOHZNPMCNJWYGU-BDPMCISCSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
N,N-dibenzylcyclobutanamine
CID 70822586
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 77201422
trans-(2R,4R)-4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 66937152
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
ethylbenzene;methylcyclobutane
CID 176989756
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
(1R,2S,3S)-1-N,1-N-dibenzyl-2-deuteriocyclohexane-1,3-diamine
CID 172601592
2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
CID 71227791
N'-benzyl-N'-(3,5-dimethylcyclohexyl)propane-1,3-diamine
CID 107364845
[(4S)-4-(dibenzylamino)-2-methylcyclohexyl]carbamic acid
CID 89477255

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine?
The IUPAC name of (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine (CID 150583379) is (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine.
What is the SMILES notation for (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine?
The canonical SMILES for (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine is CC1CCC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine?
The InChIKey is IOHZNPMCNJWYGU-BDPMCISCSA-N. The full InChI is InChI=1S/C21H27N/c1-18-9-8-14-21(15-18)22(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3/t18?,21-/m1/s1.
What are the key properties of (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine?
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine is sourced from PubChem (CID 150583379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).