N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline

C19H32N2 — CID 64753254

IUPACN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CC(C)CC(C)C1
InChIInChI=1S/C19H32N2/c1-4-5-11-21(18-9-7-6-8-10-18)19(15-20)13-16(2)12-17(3)14-19/h6-10,16-17H,4-5,11-15,20H2,1-3H3
InChIKeyUCBOOYZWKCLWEI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline

N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline (PubChem CID 64753254) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
PubChem CID64753254
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CC(C)CC(C)C1
InChIInChI=1S/C19H32N2/c1-4-5-11-21(18-9-7-6-8-10-18)19(15-20)13-16(2)12-17(3)14-19/h6-10,16-17H,4-5,11-15,20H2,1-3H3
InChIKeyUCBOOYZWKCLWEI-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
CID 64754111
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline
CID 79857922
N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
CID 64585380
3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
CID 81467474
N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline
CID 103562823
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
CID 64751072
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
CID 64585628
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752250
1-(aminomethyl)-N-butyl-N-methyl-4-phenylcyclohexan-1-amine
CID 29276937
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
CID 65088557
1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006937
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64750874

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
The IUPAC name of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline (CID 64753254) is N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline is CCCCN(c1ccccc1)C1(CN)CC(C)CC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
The InChIKey is UCBOOYZWKCLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-5-11-21(18-9-7-6-8-10-18)19(15-20)13-16(2)12-17(3)14-19/h6-10,16-17H,4-5,11-15,20H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline is sourced from PubChem (CID 64753254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).