3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine

C14H30N2 — CID 43106868

IUPAC3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CC(C)CC(C)C1
InChIInChI=1S/C14H30N2/c1-5-7-13(15)14(6-2)16-9-11(3)8-12(4)10-16/h11-14H,5-10,15H2,1-4H3
InChIKeyAUWIDTGJHVJZEW-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine

3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine (PubChem CID 43106868) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine
PubChem CID43106868
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CC(C)CC(C)C1
InChIInChI=1S/C14H30N2/c1-5-7-13(15)14(6-2)16-9-11(3)8-12(4)10-16/h11-14H,5-10,15H2,1-4H3
InChIKeyAUWIDTGJHVJZEW-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine (CID 43106868) is 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine is CCCC(N)C(CC)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine?
The InChIKey is AUWIDTGJHVJZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-13(15)14(6-2)16-9-11(3)8-12(4)10-16/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine?
3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine is sourced from PubChem (CID 43106868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).