3,3-dimethylpiperidin-1-amine

C7H16N2 — CID 19376010

IUPAC3,3-dimethylpiperidin-1-amine
SMILESCC1(C)CCCN(N)C1
InChIInChI=1S/C7H16N2/c1-7(2)4-3-5-9(8)6-7/h3-6,8H2,1-2H3
InChIKeyIGBZQNCZFLXHIZ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.98
Rot. Bonds

About 3,3-dimethylpiperidin-1-amine

3,3-dimethylpiperidin-1-amine (PubChem CID 19376010) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,3-dimethylpiperidin-1-amine.

Molecular Properties

Compound Name3,3-dimethylpiperidin-1-amine
PubChem CID19376010
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3,3-dimethylpiperidin-1-amine
SMILESCC1(C)CCCN(N)C1
InChIInChI=1S/C7H16N2/c1-7(2)4-3-5-9(8)6-7/h3-6,8H2,1-2H3
InChIKeyIGBZQNCZFLXHIZ-UHFFFAOYSA-N
XLogP0.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperidin-1-amine?
The IUPAC name of 3,3-dimethylpiperidin-1-amine (CID 19376010) is 3,3-dimethylpiperidin-1-amine.
What is the SMILES notation for 3,3-dimethylpiperidin-1-amine?
The canonical SMILES for 3,3-dimethylpiperidin-1-amine is CC1(C)CCCN(N)C1.
What is the InChIKey of 3,3-dimethylpiperidin-1-amine?
The InChIKey is IGBZQNCZFLXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)4-3-5-9(8)6-7/h3-6,8H2,1-2H3.
What are the key properties of 3,3-dimethylpiperidin-1-amine?
3,3-dimethylpiperidin-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpiperidin-1-amine is sourced from PubChem (CID 19376010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).