N-heptan-3-yl-1,2-dimethylpiperidin-4-amine

C14H30N2 — CID 81342937

IUPACN-heptan-3-yl-1,2-dimethylpiperidin-4-amine
SMILESCCCCC(CC)NC1CCN(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-5-7-8-13(6-2)15-14-9-10-16(4)12(3)11-14/h12-15H,5-11H2,1-4H3
InChIKeyKUYXAGWGVFBIQU-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds6

About N-heptan-3-yl-1,2-dimethylpiperidin-4-amine

N-heptan-3-yl-1,2-dimethylpiperidin-4-amine (PubChem CID 81342937) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-heptan-3-yl-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-heptan-3-yl-1,2-dimethylpiperidin-4-amine
PubChem CID81342937
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-heptan-3-yl-1,2-dimethylpiperidin-4-amine
SMILESCCCCC(CC)NC1CCN(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-5-7-8-13(6-2)15-14-9-10-16(4)12(3)11-14/h12-15H,5-11H2,1-4H3
InChIKeyKUYXAGWGVFBIQU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-heptan-3-yl-1,2-dimethylpiperidin-4-amine (CID 81342937) is N-heptan-3-yl-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-heptan-3-yl-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-heptan-3-yl-1,2-dimethylpiperidin-4-amine is CCCCC(CC)NC1CCN(C)C(C)C1.
What is the InChIKey of N-heptan-3-yl-1,2-dimethylpiperidin-4-amine?
The InChIKey is KUYXAGWGVFBIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-8-13(6-2)15-14-9-10-16(4)12(3)11-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N-heptan-3-yl-1,2-dimethylpiperidin-4-amine?
N-heptan-3-yl-1,2-dimethylpiperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81342937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).