2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine

C14H30N2 — CID 62262959

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)CN1CC(C)CC(C)C1
InChIInChI=1S/C14H30N2/c1-5-14(6-2,10-15)11-16-8-12(3)7-13(4)9-16/h12-13H,5-11,15H2,1-4H3
InChIKeyFAWIMNZRSQJWES-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds5

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine

2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine (PubChem CID 62262959) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
PubChem CID62262959
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)CN1CC(C)CC(C)C1
InChIInChI=1S/C14H30N2/c1-5-14(6-2,10-15)11-16-8-12(3)7-13(4)9-16/h12-13H,5-11,15H2,1-4H3
InChIKeyFAWIMNZRSQJWES-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine (CID 62262959) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine is CCC(CC)(CN)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine?
The InChIKey is FAWIMNZRSQJWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2,10-15)11-16-8-12(3)7-13(4)9-16/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 62262959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).