N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline

C19H32N2 — CID 64586215

IUPACN-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline
SMILESCCCCN(CC1CCCCC1NCC)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-5-15-21(18-12-7-6-8-13-18)16-17-11-9-10-14-19(17)20-4-2/h6-8,12-13,17,19-20H,3-5,9-11,14-16H2,1-2H3
InChIKeyNNLBLUMORMCNLD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds8

About N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline

N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline (PubChem CID 64586215) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline
PubChem CID64586215
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline
SMILESCCCCN(CC1CCCCC1NCC)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-5-15-21(18-12-7-6-8-13-18)16-17-11-9-10-14-19(17)20-4-2/h6-8,12-13,17,19-20H,3-5,9-11,14-16H2,1-2H3
InChIKeyNNLBLUMORMCNLD-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
CID 104746537
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol
CID 64585632
N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline
CID 63482884
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406
N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
CID 64584279
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
CID 64586599
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline?
The IUPAC name of N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline (CID 64586215) is N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline is CCCCN(CC1CCCCC1NCC)c1ccccc1.
What is the InChIKey of N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline?
The InChIKey is NNLBLUMORMCNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-5-15-21(18-12-7-6-8-13-18)16-17-11-9-10-14-19(17)20-4-2/h6-8,12-13,17,19-20H,3-5,9-11,14-16H2,1-2H3.
What are the key properties of N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline?
N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline has a molecular weight of 288.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 64586215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).