[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine

C14H30N2 — CID 83157442

IUPAC[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
SMILESCCC1CCCN(CCCC(C)C)C1CN
InChIInChI=1S/C14H30N2/c1-4-13-8-6-10-16(14(13)11-15)9-5-7-12(2)3/h12-14H,4-11,15H2,1-3H3
InChIKeyRUHLRSHRTVSVKS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds6

About [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine

[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine (PubChem CID 83157442) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
PubChem CID83157442
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
SMILESCCC1CCCN(CCCC(C)C)C1CN
InChIInChI=1S/C14H30N2/c1-4-13-8-6-10-16(14(13)11-15)9-5-7-12(2)3/h12-14H,4-11,15H2,1-3H3
InChIKeyRUHLRSHRTVSVKS-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
CID 107912600
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 82736146
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
CID 82737150
[3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]piperidin-2-yl]methanamine
CID 82736712
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine
CID 82682659
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
CID 82736942
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine?
The IUPAC name of [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine (CID 83157442) is [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine is CCC1CCCN(CCCC(C)C)C1CN.
What is the InChIKey of [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine?
The InChIKey is RUHLRSHRTVSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13-8-6-10-16(14(13)11-15)9-5-7-12(2)3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine?
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 83157442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).