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

C14H30N2 — CID 81301499

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

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

N-heptan-2-yl-1,2-dimethylpiperidin-4-amine (PubChem CID 81301499) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-heptan-2-yl-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-heptan-2-yl-1,2-dimethylpiperidin-4-amine
PubChem CID81301499
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-heptan-2-yl-1,2-dimethylpiperidin-4-amine
SMILESCCCCCC(C)NC1CCN(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-8-12(2)15-14-9-10-16(4)13(3)11-14/h12-15H,5-11H2,1-4H3
InChIKeyHLBQZQNKJXGLMH-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-heptan-2-yl-1,2-dimethylpiperidin-4-amine (CID 81301499) is N-heptan-2-yl-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-heptan-2-yl-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-heptan-2-yl-1,2-dimethylpiperidin-4-amine is CCCCCC(C)NC1CCN(C)C(C)C1.
What is the InChIKey of N-heptan-2-yl-1,2-dimethylpiperidin-4-amine?
The InChIKey is HLBQZQNKJXGLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-8-12(2)15-14-9-10-16(4)13(3)11-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N-heptan-2-yl-1,2-dimethylpiperidin-4-amine?
N-heptan-2-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-2-yl-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81301499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).