N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline

C17H28N2 — CID 62616342

IUPACN-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
SMILESCCCNC1CCCCC1CN(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-13-18-17-12-8-7-9-15(17)14-19(2)16-10-5-4-6-11-16/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3
InChIKeyZIFRGQBLVINIPJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline

N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline (PubChem CID 62616342) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
PubChem CID62616342
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
SMILESCCCNC1CCCCC1CN(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-13-18-17-12-8-7-9-15(17)14-19(2)16-10-5-4-6-11-16/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3
InChIKeyZIFRGQBLVINIPJ-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
CID 63495171
N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline
CID 64586215
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616023
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The IUPAC name of N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline (CID 62616342) is N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline is CCCNC1CCCCC1CN(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The InChIKey is ZIFRGQBLVINIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-13-18-17-12-8-7-9-15(17)14-19(2)16-10-5-4-6-11-16/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 62616342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).