3,3,4-trimethylpiperidin-1-amine

C8H18N2 — CID 22278918

IUPAC3,3,4-trimethylpiperidin-1-amine
SMILESCC1CCN(N)CC1(C)C
InChIInChI=1S/C8H18N2/c1-7-4-5-10(9)6-8(7,2)3/h7H,4-6,9H2,1-3H3
InChIKeyLHVGYXHJTNTHEX-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.23
Rot. Bonds

About 3,3,4-trimethylpiperidin-1-amine

3,3,4-trimethylpiperidin-1-amine (PubChem CID 22278918) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3,3,4-trimethylpiperidin-1-amine.

Molecular Properties

Compound Name3,3,4-trimethylpiperidin-1-amine
PubChem CID22278918
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3,3,4-trimethylpiperidin-1-amine
SMILESCC1CCN(N)CC1(C)C
InChIInChI=1S/C8H18N2/c1-7-4-5-10(9)6-8(7,2)3/h7H,4-6,9H2,1-3H3
InChIKeyLHVGYXHJTNTHEX-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.23
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 3,3,4-trimethylpiperidin-1-amine?
The IUPAC name of 3,3,4-trimethylpiperidin-1-amine (CID 22278918) is 3,3,4-trimethylpiperidin-1-amine.
What is the SMILES notation for 3,3,4-trimethylpiperidin-1-amine?
The canonical SMILES for 3,3,4-trimethylpiperidin-1-amine is CC1CCN(N)CC1(C)C.
What is the InChIKey of 3,3,4-trimethylpiperidin-1-amine?
The InChIKey is LHVGYXHJTNTHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7-4-5-10(9)6-8(7,2)3/h7H,4-6,9H2,1-3H3.
What are the key properties of 3,3,4-trimethylpiperidin-1-amine?
3,3,4-trimethylpiperidin-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylpiperidin-1-amine is sourced from PubChem (CID 22278918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).