2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine

C16H32N2 — CID 107401671

IUPAC2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CC)CC1CCC1
InChIInChI=1S/C16H32N2/c1-3-17-16-11-6-5-10-15(16)13-18(4-2)12-14-8-7-9-14/h14-17H,3-13H2,1-2H3
InChIKeyYFHRBABJCZBZPB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds7

About 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine

2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine (PubChem CID 107401671) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
PubChem CID107401671
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CC)CC1CCC1
InChIInChI=1S/C16H32N2/c1-3-17-16-11-6-5-10-15(16)13-18(4-2)12-14-8-7-9-14/h14-17H,3-13H2,1-2H3
InChIKeyYFHRBABJCZBZPB-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-N-ethylcyclopentan-1-amine
CID 107398091
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
2-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-ethylcyclopentan-1-amine
CID 79565944
N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107871148
N'-[[2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55094563
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611047
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine (CID 107401671) is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1CN(CC)CC1CCC1.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine?
The InChIKey is YFHRBABJCZBZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-17-16-11-6-5-10-15(16)13-18(4-2)12-14-8-7-9-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine?
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 107401671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).