N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine

C19H30N2 — CID 83993960

IUPACN-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
SMILESCCC1CC(NCc2ccccc2)CN(CC2CCC2)C1
InChIInChI=1S/C19H30N2/c1-2-16-11-19(20-12-17-7-4-3-5-8-17)15-21(13-16)14-18-9-6-10-18/h3-5,7-8,16,18-20H,2,6,9-15H2,1H3
InChIKeyRRRMFEWONNJAAB-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.68
Rot. Bonds6

About N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine

N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine (PubChem CID 83993960) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
PubChem CID83993960
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
SMILESCCC1CC(NCc2ccccc2)CN(CC2CCC2)C1
InChIInChI=1S/C19H30N2/c1-2-16-11-19(20-12-17-7-4-3-5-8-17)15-21(13-16)14-18-9-6-10-18/h3-5,7-8,16,18-20H,2,6,9-15H2,1H3
InChIKeyRRRMFEWONNJAAB-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
1-(cyclopentylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996048
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine (CID 83993960) is N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine is CCC1CC(NCc2ccccc2)CN(CC2CCC2)C1.
What is the InChIKey of N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine?
The InChIKey is RRRMFEWONNJAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-16-11-19(20-12-17-7-4-3-5-8-17)15-21(13-16)14-18-9-6-10-18/h3-5,7-8,16,18-20H,2,6,9-15H2,1H3.
What are the key properties of N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine?
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine has a molecular weight of 286.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine is sourced from PubChem (CID 83993960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).