N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline

C18H30N2 — CID 63551560

IUPACN-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C18H30N2/c1-4-12-19-14-16-9-5-6-11-18(16)20(3)17-10-7-8-15(2)13-17/h5-6,9,11,15,17,19H,4,7-8,10,12-14H2,1-3H3
InChIKeyIYTGCXCYRFEDMZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds6

About N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline

N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline (PubChem CID 63551560) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
PubChem CID63551560
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C18H30N2/c1-4-12-19-14-16-9-5-6-11-18(16)20(3)17-10-7-8-15(2)13-17/h5-6,9,11,15,17,19H,4,7-8,10,12-14H2,1-3H3
InChIKeyIYTGCXCYRFEDMZ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine
CID 62545562
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
[2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 106906147
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline (CID 63551560) is N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)C1CCCC(C)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
The InChIKey is IYTGCXCYRFEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-12-19-14-16-9-5-6-11-18(16)20(3)17-10-7-8-15(2)13-17/h5-6,9,11,15,17,19H,4,7-8,10,12-14H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline has a molecular weight of 274.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 63551560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).