N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline

C18H28N2 — CID 64596213

IUPACN-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C18H28N2/c1-20(2)13-14-5-3-7-17(11-14)19-18-8-4-6-16(12-18)15-9-10-15/h3,5,7,11,15-16,18-19H,4,6,8-10,12-13H2,1-2H3
InChIKeyAOQTZIDKMXIULL-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.13
Rot. Bonds5

About N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline

N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline (PubChem CID 64596213) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
PubChem CID64596213
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C18H28N2/c1-20(2)13-14-5-3-7-17(11-14)19-18-8-4-6-16(12-18)15-9-10-15/h3,5,7,11,15-16,18-19H,4,6,8-10,12-13H2,1-2H3
InChIKeyAOQTZIDKMXIULL-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
CID 65080920
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
CID 64623365
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
N-[3-[(3-cyclopropylcyclohexyl)amino]phenyl]-2-hydroxyacetamide
CID 84593935
N-cyclohexyl-3-ethylaniline
CID 11009024
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
CID 43771013
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline (CID 64596213) is N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline is CN(C)Cc1cccc(NC2CCCC(C3CC3)C2)c1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline?
The InChIKey is AOQTZIDKMXIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(2)13-14-5-3-7-17(11-14)19-18-8-4-6-16(12-18)15-9-10-15/h3,5,7,11,15-16,18-19H,4,6,8-10,12-13H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline?
N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline has a molecular weight of 272.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 64596213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).