N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline

C19H32N2 — CID 64754111

IUPACN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CCC(C)CC1C
InChIInChI=1S/C19H32N2/c1-4-5-13-21(18-9-7-6-8-10-18)19(15-20)12-11-16(2)14-17(19)3/h6-10,16-17H,4-5,11-15,20H2,1-3H3
InChIKeyOBTYPMHZBSOYND-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline (PubChem CID 64754111) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
PubChem CID64754111
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CCC(C)CC1C
InChIInChI=1S/C19H32N2/c1-4-5-13-21(18-9-7-6-8-10-18)19(15-20)12-11-16(2)14-17(19)3/h6-10,16-17H,4-5,11-15,20H2,1-3H3
InChIKeyOBTYPMHZBSOYND-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

1-Phenyl-4-(2-phenylpropyl)piperazine
CID 2845633
1-(2-Isopropylphenyl)piperazine
CID 3608822
1-[2-(2-Methylphenyl)phenyl]piperazine
CID 60196079
1-(4-Tert-butylcyclohexyl)-4-phenylpiperazine
CID 1378337
N,N'-bis-(2,4-dimethyl-phenyl)-ethane-1,2-diamine
CID 2140104
N',N'-diethyl-N-(4-phenylphenyl)propane-1,3-diamine
CID 458749
N',N'-diethyl-N-(2-phenylphenyl)propane-1,3-diamine
CID 44399386
1-[2-(3,4-Dimethylphenyl)phenyl]piperazine
CID 60195993
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
CID 162644264
1-(2-((4-Phenylpiperazin-1-yl)methyl)phenyl)methanamine
CID 18071299
N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
CID 5248041
N-(2-piperidin-1-ylethyl)-2-propan-2-ylaniline;hydrochloride
CID 137660676

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline (CID 64754111) is N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline is CCCCN(c1ccccc1)C1(CN)CCC(C)CC1C.
What is the InChIKey of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline?
The InChIKey is OBTYPMHZBSOYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-5-13-21(18-9-7-6-8-10-18)19(15-20)12-11-16(2)14-17(19)3/h6-10,16-17H,4-5,11-15,20H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline?
N-[1-(aminomethyl)-2,4-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)-2,4-dimethylcyclohexyl]-N-butylaniline is sourced from PubChem (CID 64754111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).