N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline

C18H30N2 — CID 64585628

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
SMILESCCCCN(CC1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-2-3-14-20(17-10-6-4-7-11-17)16-18(15-19)12-8-5-9-13-18/h4,6-7,10-11H,2-3,5,8-9,12-16,19H2,1H3
InChIKeyDODWPRZLLFFSPG-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds7

About N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline

N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline (PubChem CID 64585628) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
PubChem CID64585628
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
SMILESCCCCN(CC1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-2-3-14-20(17-10-6-4-7-11-17)16-18(15-19)12-8-5-9-13-18/h4,6-7,10-11H,2-3,5,8-9,12-16,19H2,1H3
InChIKeyDODWPRZLLFFSPG-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(N-butylanilino)methyl]cyclopentyl]methanol
CID 64585631
N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 64584815
N-[(2-amino-1-methylcyclopentyl)methyl]-N-butylaniline
CID 82768214
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
CID 62260420
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylnaphthalen-1-amine
CID 63484497
N-[(1-aminocyclohexyl)methyl]-N-ethylaniline
CID 28599063
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline
CID 79857922
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline (CID 64585628) is N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline is CCCCN(CC1(CN)CCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline?
The InChIKey is DODWPRZLLFFSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-14-20(17-10-6-4-7-11-17)16-18(15-19)12-8-5-9-13-18/h4,6-7,10-11H,2-3,5,8-9,12-16,19H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline?
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline is sourced from PubChem (CID 64585628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).