(1-decyl-3-ethylpiperidin-2-yl)methanamine

C18H38N2 — CID 82736476

IUPAC(1-decyl-3-ethylpiperidin-2-yl)methanamine
SMILESCCCCCCCCCCN1CCCC(CC)C1CN
InChIInChI=1S/C18H38N2/c1-3-5-6-7-8-9-10-11-14-20-15-12-13-17(4-2)18(20)16-19/h17-18H,3-16,19H2,1-2H3
InChIKeyJVNATGSHAKFGDL-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.58
Rot. Bonds11

About (1-decyl-3-ethylpiperidin-2-yl)methanamine

(1-decyl-3-ethylpiperidin-2-yl)methanamine (PubChem CID 82736476) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is (1-decyl-3-ethylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-decyl-3-ethylpiperidin-2-yl)methanamine
PubChem CID82736476
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name(1-decyl-3-ethylpiperidin-2-yl)methanamine
SMILESCCCCCCCCCCN1CCCC(CC)C1CN
InChIInChI=1S/C18H38N2/c1-3-5-6-7-8-9-10-11-14-20-15-12-13-17(4-2)18(20)16-19/h17-18H,3-16,19H2,1-2H3
InChIKeyJVNATGSHAKFGDL-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
CID 107912600
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 82736146
(1-decyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784470
(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784984
2-ethyl-1-undecylpyrrolidine
CID 171569857
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
(1-dodecylazepan-2-yl)methanamine
CID 116640397
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
CID 82736942
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
CID 82737150

Frequently Asked Questions

What is the IUPAC name of (1-decyl-3-ethylpiperidin-2-yl)methanamine?
The IUPAC name of (1-decyl-3-ethylpiperidin-2-yl)methanamine (CID 82736476) is (1-decyl-3-ethylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-decyl-3-ethylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-decyl-3-ethylpiperidin-2-yl)methanamine is CCCCCCCCCCN1CCCC(CC)C1CN.
What is the InChIKey of (1-decyl-3-ethylpiperidin-2-yl)methanamine?
The InChIKey is JVNATGSHAKFGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-3-5-6-7-8-9-10-11-14-20-15-12-13-17(4-2)18(20)16-19/h17-18H,3-16,19H2,1-2H3.
What are the key properties of (1-decyl-3-ethylpiperidin-2-yl)methanamine?
(1-decyl-3-ethylpiperidin-2-yl)methanamine has a molecular weight of 282.52 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-decyl-3-ethylpiperidin-2-yl)methanamine is sourced from PubChem (CID 82736476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).