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

C16H26N2 — CID 43435745

IUPACN-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-18(2)13-15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14/h6,9-11,14,17H,3-5,7-8,12-13H2,1-2H3
InChIKeyHBZMDCWGQFJUKL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.74
Rot. Bonds5

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

N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline (PubChem CID 43435745) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
PubChem CID43435745
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-18(2)13-15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14/h6,9-11,14,17H,3-5,7-8,12-13H2,1-2H3
InChIKeyHBZMDCWGQFJUKL-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
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N-(cyclooctylmethyl)-3-methylaniline
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N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
CID 71192487
1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol
CID 90045587
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
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N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
CID 64596213
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline?
The IUPAC name of N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline (CID 43435745) is N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline is CN(C)Cc1cccc(NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline?
The InChIKey is HBZMDCWGQFJUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(2)13-15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14/h6,9-11,14,17H,3-5,7-8,12-13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline?
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43435745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).