1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine

C12H24N2 — CID 114503399

IUPAC1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
SMILESC=C(CC)CNC1CCN(C)CC1C
InChIInChI=1S/C12H24N2/c1-5-10(2)8-13-12-6-7-14(4)9-11(12)3/h11-13H,2,5-9H2,1,3-4H3
InChIKeyRAYCSFZWJUTPDE-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds4

About 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine

1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine (PubChem CID 114503399) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
PubChem CID114503399
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
SMILESC=C(CC)CNC1CCN(C)CC1C
InChIInChI=1S/C12H24N2/c1-5-10(2)8-13-12-6-7-14(4)9-11(12)3/h11-13H,2,5-9H2,1,3-4H3
InChIKeyRAYCSFZWJUTPDE-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine (CID 114503399) is 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine is C=C(CC)CNC1CCN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine?
The InChIKey is RAYCSFZWJUTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-10(2)8-13-12-6-7-14(4)9-11(12)3/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine?
1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine is sourced from PubChem (CID 114503399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).