10,14-diamino-2-methyltetradec-1-ene-3,9-dione

C15H28N2O2 — CID 58342261

IUPAC10,14-diamino-2-methyltetradec-1-ene-3,9-dione
SMILESC=C(C)C(=O)CCCCCC(=O)C(N)CCCCN
InChIInChI=1S/C15H28N2O2/c1-12(2)14(18)9-4-3-5-10-15(19)13(17)8-6-7-11-16/h13H,1,3-11,16-17H2,2H3
InChIKeyUPAJTDDRAUTMHD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.11
Rot. Bonds12

About 10,14-diamino-2-methyltetradec-1-ene-3,9-dione

10,14-diamino-2-methyltetradec-1-ene-3,9-dione (PubChem CID 58342261) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 10,14-diamino-2-methyltetradec-1-ene-3,9-dione.

Molecular Properties

Compound Name10,14-diamino-2-methyltetradec-1-ene-3,9-dione
PubChem CID58342261
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name10,14-diamino-2-methyltetradec-1-ene-3,9-dione
SMILESC=C(C)C(=O)CCCCCC(=O)C(N)CCCCN
InChIInChI=1S/C15H28N2O2/c1-12(2)14(18)9-4-3-5-10-15(19)13(17)8-6-7-11-16/h13H,1,3-11,16-17H2,2H3
InChIKeyUPAJTDDRAUTMHD-UHFFFAOYSA-N
XLogP2.11
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10,14-diamino-2-methyltetradec-1-ene-3,9-dione 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 10,14-diamino-2-methyltetradec-1-ene-3,9-dione?
The IUPAC name of 10,14-diamino-2-methyltetradec-1-ene-3,9-dione (CID 58342261) is 10,14-diamino-2-methyltetradec-1-ene-3,9-dione.
What is the SMILES notation for 10,14-diamino-2-methyltetradec-1-ene-3,9-dione?
The canonical SMILES for 10,14-diamino-2-methyltetradec-1-ene-3,9-dione is C=C(C)C(=O)CCCCCC(=O)C(N)CCCCN.
What is the InChIKey of 10,14-diamino-2-methyltetradec-1-ene-3,9-dione?
The InChIKey is UPAJTDDRAUTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)14(18)9-4-3-5-10-15(19)13(17)8-6-7-11-16/h13H,1,3-11,16-17H2,2H3.
What are the key properties of 10,14-diamino-2-methyltetradec-1-ene-3,9-dione?
10,14-diamino-2-methyltetradec-1-ene-3,9-dione has a molecular weight of 268.40 g/mol, XLogP of 2.11, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-diamino-2-methyltetradec-1-ene-3,9-dione is sourced from PubChem (CID 58342261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).