1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol

C13H29N3O — CID 91374879

IUPAC1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol
SMILESC=C(CC(C)C)C(O)CNCCN(C)CCN
InChIInChI=1S/C13H29N3O/c1-11(2)9-12(3)13(17)10-15-6-8-16(4)7-5-14/h11,13,15,17H,3,5-10,14H2,1-2,4H3
InChIKeyYOQDBMOFJCFGCB-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.43
Rot. Bonds10

About 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol

1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol (PubChem CID 91374879) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol.

Molecular Properties

Compound Name1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol
PubChem CID91374879
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol
SMILESC=C(CC(C)C)C(O)CNCCN(C)CCN
InChIInChI=1S/C13H29N3O/c1-11(2)9-12(3)13(17)10-15-6-8-16(4)7-5-14/h11,13,15,17H,3,5-10,14H2,1-2,4H3
InChIKeyYOQDBMOFJCFGCB-UHFFFAOYSA-N
XLogP0.43
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-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-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol?
The IUPAC name of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol (CID 91374879) is 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol.
What is the SMILES notation for 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol?
The canonical SMILES for 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol is C=C(CC(C)C)C(O)CNCCN(C)CCN.
What is the InChIKey of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol?
The InChIKey is YOQDBMOFJCFGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(2)9-12(3)13(17)10-15-6-8-16(4)7-5-14/h11,13,15,17H,3,5-10,14H2,1-2,4H3.
What are the key properties of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol?
1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.43, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol is sourced from PubChem (CID 91374879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).