N-(propan-2-ylideneamino)dodecan-1-amine

C15H32N2 — CID 21452341

IUPACN-(propan-2-ylideneamino)dodecan-1-amine
SMILESCCCCCCCCCCCCNN=C(C)C
InChIInChI=1S/C15H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-16-17-15(2)3/h16H,4-14H2,1-3H3
InChIKeyACHFZPICAXZRDX-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.89
Rot. Bonds12

About N-(propan-2-ylideneamino)dodecan-1-amine

N-(propan-2-ylideneamino)dodecan-1-amine (PubChem CID 21452341) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)dodecan-1-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)dodecan-1-amine
PubChem CID21452341
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(propan-2-ylideneamino)dodecan-1-amine
SMILESCCCCCCCCCCCCNN=C(C)C
InChIInChI=1S/C15H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-16-17-15(2)3/h16H,4-14H2,1-3H3
InChIKeyACHFZPICAXZRDX-UHFFFAOYSA-N
XLogP4.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(propan-2-ylideneamino)dodecan-1-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 N-(propan-2-ylideneamino)dodecan-1-amine?
The IUPAC name of N-(propan-2-ylideneamino)dodecan-1-amine (CID 21452341) is N-(propan-2-ylideneamino)dodecan-1-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)dodecan-1-amine?
The canonical SMILES for N-(propan-2-ylideneamino)dodecan-1-amine is CCCCCCCCCCCCNN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)dodecan-1-amine?
The InChIKey is ACHFZPICAXZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-16-17-15(2)3/h16H,4-14H2,1-3H3.
What are the key properties of N-(propan-2-ylideneamino)dodecan-1-amine?
N-(propan-2-ylideneamino)dodecan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 4.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)dodecan-1-amine is sourced from PubChem (CID 21452341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).