6-methyl-4-(methylamino)hepta-1,2-dien-3-ol

C9H17NO — CID 134365836

IUPAC6-methyl-4-(methylamino)hepta-1,2-dien-3-ol
SMILESC=C=C(O)C(CC(C)C)NC
InChIInChI=1S/C9H17NO/c1-5-9(11)8(10-4)6-7(2)3/h7-8,10-11H,1,6H2,2-4H3
InChIKeyHEFNGZIAIVSBTR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds4

About 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol

6-methyl-4-(methylamino)hepta-1,2-dien-3-ol (PubChem CID 134365836) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol.

Molecular Properties

Compound Name6-methyl-4-(methylamino)hepta-1,2-dien-3-ol
PubChem CID134365836
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-methyl-4-(methylamino)hepta-1,2-dien-3-ol
SMILESC=C=C(O)C(CC(C)C)NC
InChIInChI=1S/C9H17NO/c1-5-9(11)8(10-4)6-7(2)3/h7-8,10-11H,1,6H2,2-4H3
InChIKeyHEFNGZIAIVSBTR-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol?
The IUPAC name of 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol (CID 134365836) is 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol.
What is the SMILES notation for 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol?
The canonical SMILES for 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol is C=C=C(O)C(CC(C)C)NC.
What is the InChIKey of 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol?
The InChIKey is HEFNGZIAIVSBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(11)8(10-4)6-7(2)3/h7-8,10-11H,1,6H2,2-4H3.
What are the key properties of 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol?
6-methyl-4-(methylamino)hepta-1,2-dien-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylamino)hepta-1,2-dien-3-ol is sourced from PubChem (CID 134365836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).