2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline

C18H30N2 — CID 107448283

IUPAC2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2CN(C)C)C1
InChIInChI=1S/C18H30N2/c1-14(2)15-9-7-10-17(12-15)19-18-11-6-5-8-16(18)13-20(3)4/h5-6,8,11,14-15,17,19H,7,9-10,12-13H2,1-4H3
InChIKeyWZBNEVVWTZFZBG-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.37
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline

2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107448283) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107448283
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2CN(C)C)C1
InChIInChI=1S/C18H30N2/c1-14(2)15-9-7-10-17(12-15)19-18-11-6-5-8-16(18)13-20(3)4/h5-6,8,11,14-15,17,19H,7,9-10,12-13H2,1-4H3
InChIKeyWZBNEVVWTZFZBG-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
CID 43692073
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448138
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline (CID 107448283) is 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCC(Nc2ccccc2CN(C)C)C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is WZBNEVVWTZFZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)15-9-7-10-17(12-15)19-18-11-6-5-8-16(18)13-20(3)4/h5-6,8,11,14-15,17,19H,7,9-10,12-13H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline?
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 274.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107448283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).