2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline

C18H30N2 — CID 64738575

IUPAC2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)C1CCC(C)C(C)C1
InChIInChI=1S/C18H30N2/c1-4-11-20(13-16-7-5-6-8-18(16)19)17-10-9-14(2)15(3)12-17/h5-8,14-15,17H,4,9-13,19H2,1-3H3
InChIKeyJAMMLFYLCGKIFB-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.31
Rot. Bonds5

About 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline

2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline (PubChem CID 64738575) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
PubChem CID64738575
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)C1CCC(C)C(C)C1
InChIInChI=1S/C18H30N2/c1-4-11-20(13-16-7-5-6-8-18(16)19)17-10-9-14(2)15(3)12-17/h5-8,14-15,17H,4,9-13,19H2,1-3H3
InChIKeyJAMMLFYLCGKIFB-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 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 ≤ 54.31
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

2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
3-[(2-aminophenyl)methyl-propylamino]azepan-2-one
CID 43459941
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline?
The IUPAC name of 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline (CID 64738575) is 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline.
What is the SMILES notation for 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline?
The canonical SMILES for 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline is CCCN(Cc1ccccc1N)C1CCC(C)C(C)C1.
What is the InChIKey of 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline?
The InChIKey is JAMMLFYLCGKIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-11-20(13-16-7-5-6-8-18(16)19)17-10-9-14(2)15(3)12-17/h5-8,14-15,17H,4,9-13,19H2,1-3H3.
What are the key properties of 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline?
2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline is sourced from PubChem (CID 64738575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).