(3R)-3-benzylcyclohexan-1-amine

C13H19N — CID 168960646

IUPAC(3R)-3-benzylcyclohexan-1-amine
SMILESNC1CCC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2/t12-,13?/m1/s1
InChIKeyXMPDAIWTBMSFRC-PZORYLMUSA-N
MW189.30 g/mol
LogP2.75
Rot. Bonds2

About (3R)-3-benzylcyclohexan-1-amine

(3R)-3-benzylcyclohexan-1-amine (PubChem CID 168960646) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3R)-3-benzylcyclohexan-1-amine.

Molecular Properties

Compound Name(3R)-3-benzylcyclohexan-1-amine
PubChem CID168960646
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3R)-3-benzylcyclohexan-1-amine
SMILESNC1CCC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2/t12-,13?/m1/s1
InChIKeyXMPDAIWTBMSFRC-PZORYLMUSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3R)-3-benzylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 174225094
1,3-dibenzylcyclooctane
CID 3045388
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
CID 64504117
3-[(dibenzylamino)methyl]cyclohexan-1-amine
CID 18447128
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
[3-(2-methylpropyl)cyclohexyl]methylbenzene
CID 154060478
cyclopentylmethylbenzene;formamide
CID 174870384
butane;cyclopentylmethylbenzene
CID 143522605
(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
CID 167446481
3-[(3,5-difluorophenyl)methyl]cycloheptan-1-amine
CID 105409667

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzylcyclohexan-1-amine?
The IUPAC name of (3R)-3-benzylcyclohexan-1-amine (CID 168960646) is (3R)-3-benzylcyclohexan-1-amine.
What is the SMILES notation for (3R)-3-benzylcyclohexan-1-amine?
The canonical SMILES for (3R)-3-benzylcyclohexan-1-amine is NC1CCC[C@H](Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-benzylcyclohexan-1-amine?
The InChIKey is XMPDAIWTBMSFRC-PZORYLMUSA-N. The full InChI is InChI=1S/C13H19N/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2/t12-,13?/m1/s1.
What are the key properties of (3R)-3-benzylcyclohexan-1-amine?
(3R)-3-benzylcyclohexan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzylcyclohexan-1-amine is sourced from PubChem (CID 168960646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).