N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline

C19H32N2 — CID 64585380

IUPACN-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CCCCC1CC
InChIInChI=1S/C19H32N2/c1-3-5-15-21(18-12-7-6-8-13-18)19(16-20)14-10-9-11-17(19)4-2/h6-8,12-13,17H,3-5,9-11,14-16,20H2,1-2H3
InChIKeyJSKABQSEYLJOFQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.59
Rot. Bonds7

About N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline

N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline (PubChem CID 64585380) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
PubChem CID64585380
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CCCCC1CC
InChIInChI=1S/C19H32N2/c1-3-5-15-21(18-12-7-6-8-13-18)19(16-20)14-10-9-11-17(19)4-2/h6-8,12-13,17H,3-5,9-11,14-16,20H2,1-2H3
InChIKeyJSKABQSEYLJOFQ-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline (CID 64585380) is N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline is CCCCN(c1ccccc1)C1(CN)CCCCC1CC.
What is the InChIKey of N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline?
The InChIKey is JSKABQSEYLJOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-5-15-21(18-12-7-6-8-13-18)19(16-20)14-10-9-11-17(19)4-2/h6-8,12-13,17H,3-5,9-11,14-16,20H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline?
N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline is sourced from PubChem (CID 64585380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).