3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline

C17H28N2 — CID 115341883

IUPAC3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
SMILESCC1CCC(N(C)CCCc2cccc(N)c2)CC1
InChIInChI=1S/C17H28N2/c1-14-8-10-17(11-9-14)19(2)12-4-6-15-5-3-7-16(18)13-15/h3,5,7,13-14,17H,4,6,8-12,18H2,1-2H3
InChIKeyXXOPOUUUQLOMTC-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.71
Rot. Bonds5

About 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline

3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline (PubChem CID 115341883) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
PubChem CID115341883
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
SMILESCC1CCC(N(C)CCCc2cccc(N)c2)CC1
InChIInChI=1S/C17H28N2/c1-14-8-10-17(11-9-14)19(2)12-4-6-15-5-3-7-16(18)13-15/h3,5,7,13-14,17H,4,6,8-12,18H2,1-2H3
InChIKeyXXOPOUUUQLOMTC-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline
CID 113290639
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
CID 65347606
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
N-[2-(3-aminophenyl)ethyl]-N-methylthiolan-3-amine
CID 65350362
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-pentylaniline
CID 19911390
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336
3-docosylaniline
CID 139654071

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline?
The IUPAC name of 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline (CID 115341883) is 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline.
What is the SMILES notation for 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline?
The canonical SMILES for 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline is CC1CCC(N(C)CCCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline?
The InChIKey is XXOPOUUUQLOMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-10-17(11-9-14)19(2)12-4-6-15-5-3-7-16(18)13-15/h3,5,7,13-14,17H,4,6,8-12,18H2,1-2H3.
What are the key properties of 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline?
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline has a molecular weight of 260.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline is sourced from PubChem (CID 115341883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).