4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline

C17H28N2 — CID 64753180

IUPAC4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
SMILESCC1CC(C)CC(Nc2ccc(CN(C)C)cc2)C1
InChIInChI=1S/C17H28N2/c1-13-9-14(2)11-17(10-13)18-16-7-5-15(6-8-16)12-19(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyHWKBEKYIPQXXRN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline

4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline (PubChem CID 64753180) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
PubChem CID64753180
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
SMILESCC1CC(C)CC(Nc2ccc(CN(C)C)cc2)C1
InChIInChI=1S/C17H28N2/c1-13-9-14(2)11-17(10-13)18-16-7-5-15(6-8-16)12-19(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyHWKBEKYIPQXXRN-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-[(dimethylamino)methyl]aniline
CID 43747284
3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
CID 79462759
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile
CID 104862583
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline
CID 43747227
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline (CID 64753180) is 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline is CC1CC(C)CC(Nc2ccc(CN(C)C)cc2)C1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline?
The InChIKey is HWKBEKYIPQXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-9-14(2)11-17(10-13)18-16-7-5-15(6-8-16)12-19(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline?
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline is sourced from PubChem (CID 64753180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).