1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol

C14H30N2O — CID 123264743

IUPAC1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol
SMILESCC=C(C)CCC(CC)NC(C)(O)CN(C)C
InChIInChI=1S/C14H30N2O/c1-7-12(3)9-10-13(8-2)15-14(4,17)11-16(5)6/h7,13,15,17H,8-11H2,1-6H3
InChIKeyTWBTXLBLPDEAGA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.37
Rot. Bonds8

About 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol

1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol (PubChem CID 123264743) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol
PubChem CID123264743
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol
SMILESCC=C(C)CCC(CC)NC(C)(O)CN(C)C
InChIInChI=1S/C14H30N2O/c1-7-12(3)9-10-13(8-2)15-14(4,17)11-16(5)6/h7,13,15,17H,8-11H2,1-6H3
InChIKeyTWBTXLBLPDEAGA-UHFFFAOYSA-N
XLogP2.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol 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-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol (CID 123264743) is 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol is CC=C(C)CCC(CC)NC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol?
The InChIKey is TWBTXLBLPDEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-12(3)9-10-13(8-2)15-14(4,17)11-16(5)6/h7,13,15,17H,8-11H2,1-6H3.
What are the key properties of 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol?
1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol is sourced from PubChem (CID 123264743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).