N-[(1-methylcyclohexyl)methyl]aniline

C14H21N — CID 102084023

IUPACN-[(1-methylcyclohexyl)methyl]aniline
SMILESCC1(CNc2ccccc2)CCCCC1
InChIInChI=1S/C14H21N/c1-14(10-6-3-7-11-14)12-15-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyVRCDMRTVLRADMH-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.07
Rot. Bonds3

About N-[(1-methylcyclohexyl)methyl]aniline

N-[(1-methylcyclohexyl)methyl]aniline (PubChem CID 102084023) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]aniline
PubChem CID102084023
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(1-methylcyclohexyl)methyl]aniline
SMILESCC1(CNc2ccccc2)CCCCC1
InChIInChI=1S/C14H21N/c1-14(10-6-3-7-11-14)12-15-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyVRCDMRTVLRADMH-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]aniline?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]aniline (CID 102084023) is N-[(1-methylcyclohexyl)methyl]aniline.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]aniline?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]aniline is CC1(CNc2ccccc2)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]aniline?
The InChIKey is VRCDMRTVLRADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-14(10-6-3-7-11-14)12-15-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]aniline?
N-[(1-methylcyclohexyl)methyl]aniline has a molecular weight of 203.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]aniline is sourced from PubChem (CID 102084023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).