N-[(2-aminocyclohexyl)methyl]-N-butylaniline

C17H28N2 — CID 64584073

IUPACN-[(2-aminocyclohexyl)methyl]-N-butylaniline
SMILESCCCCN(CC1CCCCC1N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-3-13-19(16-10-5-4-6-11-16)14-15-9-7-8-12-17(15)18/h4-6,10-11,15,17H,2-3,7-9,12-14,18H2,1H3
InChIKeyYEULSOVKTMIYRZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-aminocyclohexyl)methyl]-N-butylaniline

N-[(2-aminocyclohexyl)methyl]-N-butylaniline (PubChem CID 64584073) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-N-butylaniline.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-N-butylaniline
PubChem CID64584073
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2-aminocyclohexyl)methyl]-N-butylaniline
SMILESCCCCN(CC1CCCCC1N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-3-13-19(16-10-5-4-6-11-16)14-15-9-7-8-12-17(15)18/h4-6,10-11,15,17H,2-3,7-9,12-14,18H2,1H3
InChIKeyYEULSOVKTMIYRZ-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-N-butylaniline?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-N-butylaniline (CID 64584073) is N-[(2-aminocyclohexyl)methyl]-N-butylaniline.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-N-butylaniline?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-N-butylaniline is CCCCN(CC1CCCCC1N)c1ccccc1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-N-butylaniline?
The InChIKey is YEULSOVKTMIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-13-19(16-10-5-4-6-11-16)14-15-9-7-8-12-17(15)18/h4-6,10-11,15,17H,2-3,7-9,12-14,18H2,1H3.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-N-butylaniline?
N-[(2-aminocyclohexyl)methyl]-N-butylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-N-butylaniline is sourced from PubChem (CID 64584073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).