N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane

C17H29N — CID 161499393

IUPACN-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC1CCC(N(C)Cc2ccccc2)CC1
InChIInChI=1S/C15H23N.C2H6/c1-13-8-10-15(11-9-13)16(2)12-14-6-4-3-5-7-14;1-2/h3-7,13,15H,8-12H2,1-2H3;1-2H3
InChIKeyWGQDHLNBXGXDJF-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.72
Rot. Bonds3

About N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane

N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane (PubChem CID 161499393) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
PubChem CID161499393
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC1CCC(N(C)Cc2ccccc2)CC1
InChIInChI=1S/C15H23N.C2H6/c1-13-8-10-15(11-9-13)16(2)12-14-6-4-3-5-7-14;1-2/h3-7,13,15H,8-12H2,1-2H3;1-2H3
InChIKeyWGQDHLNBXGXDJF-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
CID 158061780
1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
CID 117038127
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
CID 61437237
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 61436967
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782
4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117038147
N-benzyl-N,5-dimethylpiperidin-3-amine
CID 164648058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane?
The IUPAC name of N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane (CID 161499393) is N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane.
What is the SMILES notation for N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane?
The canonical SMILES for N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane is CC.CC1CCC(N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane?
The InChIKey is WGQDHLNBXGXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-13-8-10-15(11-9-13)16(2)12-14-6-4-3-5-7-14;1-2/h3-7,13,15H,8-12H2,1-2H3;1-2H3.
What are the key properties of N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane?
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane has a molecular weight of 247.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane is sourced from PubChem (CID 161499393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).