3-[(dibenzylamino)methyl]cyclohexan-1-amine

C21H28N2 — CID 18447128

IUPAC3-[(dibenzylamino)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H28N2/c22-21-13-7-12-20(14-21)17-23(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,22H2
InChIKeyINUOKFSQBPQUFU-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.21
Rot. Bonds6

About 3-[(dibenzylamino)methyl]cyclohexan-1-amine

3-[(dibenzylamino)methyl]cyclohexan-1-amine (PubChem CID 18447128) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-[(dibenzylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(dibenzylamino)methyl]cyclohexan-1-amine
PubChem CID18447128
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name3-[(dibenzylamino)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H28N2/c22-21-13-7-12-20(14-21)17-23(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,22H2
InChIKeyINUOKFSQBPQUFU-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
CID 70981620
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine
CID 130161533
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
(1R,2S,3S)-1-N,1-N-dibenzyl-2-deuteriocyclohexane-1,3-diamine
CID 172601592
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
CID 63047164
cis-(1R,3R)-3-benzylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 174225094
6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 56819791

Frequently Asked Questions

What is the IUPAC name of 3-[(dibenzylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(dibenzylamino)methyl]cyclohexan-1-amine (CID 18447128) is 3-[(dibenzylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(dibenzylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(dibenzylamino)methyl]cyclohexan-1-amine is NC1CCCC(CN(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 3-[(dibenzylamino)methyl]cyclohexan-1-amine?
The InChIKey is INUOKFSQBPQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c22-21-13-7-12-20(14-21)17-23(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,22H2.
What are the key properties of 3-[(dibenzylamino)methyl]cyclohexan-1-amine?
3-[(dibenzylamino)methyl]cyclohexan-1-amine has a molecular weight of 308.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibenzylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 18447128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).