4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine

C14H30N2 — CID 64708691

IUPAC4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)N1CCCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-6-15-12(2)10-13(3)16-9-7-8-14(4,5)11-16/h12-13,15H,6-11H2,1-5H3
InChIKeyYAEMPXIHJVKNRP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine

4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine (PubChem CID 64708691) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
PubChem CID64708691
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)N1CCCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-6-15-12(2)10-13(3)16-9-7-8-14(4,5)11-16/h12-13,15H,6-11H2,1-5H3
InChIKeyYAEMPXIHJVKNRP-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine (CID 64708691) is 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine is CCNC(C)CC(C)N1CCCC(C)(C)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine?
The InChIKey is YAEMPXIHJVKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-15-12(2)10-13(3)16-9-7-8-14(4,5)11-16/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine?
4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64708691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).