N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol

C24H49NO2 — CID 142111253

IUPACN-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol
SMILESC=C(C)C(O)CC(C)C(C)CO.C=C(CCCCCCCCCCC)NC
InChIInChI=1S/C14H29N.C10H20O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)15-3;1-7(2)10(12)5-8(3)9(4)6-11/h15H,2,4-13H2,1,3H3;8-12H,1,5-6H2,2-4H3
InChIKeyURNQTJWWGNZITA-UHFFFAOYSA-N
MW383.66 g/mol
LogP6.22
Rot. Bonds16

About N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol

N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol (PubChem CID 142111253) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol.

Molecular Properties

Compound NameN-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol
PubChem CID142111253
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC NameN-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol
SMILESC=C(C)C(O)CC(C)C(C)CO.C=C(CCCCCCCCCCC)NC
InChIInChI=1S/C14H29N.C10H20O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)15-3;1-7(2)10(12)5-8(3)9(4)6-11/h15H,2,4-13H2,1,3H3;8-12H,1,5-6H2,2-4H3
InChIKeyURNQTJWWGNZITA-UHFFFAOYSA-N
XLogP6.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol 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-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol?
The IUPAC name of N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol (CID 142111253) is N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol.
What is the SMILES notation for N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol?
The canonical SMILES for N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol is C=C(C)C(O)CC(C)C(C)CO.C=C(CCCCCCCCCCC)NC.
What is the InChIKey of N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol?
The InChIKey is URNQTJWWGNZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C10H20O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)15-3;1-7(2)10(12)5-8(3)9(4)6-11/h15H,2,4-13H2,1,3H3;8-12H,1,5-6H2,2-4H3.
What are the key properties of N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol?
N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol has a molecular weight of 383.66 g/mol, XLogP of 6.22, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyltridec-1-en-2-amine;2,3,6-trimethylhept-6-ene-1,5-diol is sourced from PubChem (CID 142111253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).