1-(dimethylamino)-4-methylidenehexan-2-ol

C9H19NO — CID 79087101

IUPAC1-(dimethylamino)-4-methylidenehexan-2-ol
SMILESC=C(CC)CC(O)CN(C)C
InChIInChI=1S/C9H19NO/c1-5-8(2)6-9(11)7-10(3)4/h9,11H,2,5-7H2,1,3-4H3
InChIKeyIBNVAUWFMDDJJQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds5

About 1-(dimethylamino)-4-methylidenehexan-2-ol

1-(dimethylamino)-4-methylidenehexan-2-ol (PubChem CID 79087101) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(dimethylamino)-4-methylidenehexan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-4-methylidenehexan-2-ol
PubChem CID79087101
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(dimethylamino)-4-methylidenehexan-2-ol
SMILESC=C(CC)CC(O)CN(C)C
InChIInChI=1S/C9H19NO/c1-5-8(2)6-9(11)7-10(3)4/h9,11H,2,5-7H2,1,3-4H3
InChIKeyIBNVAUWFMDDJJQ-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-methylidenehexan-2-ol?
The IUPAC name of 1-(dimethylamino)-4-methylidenehexan-2-ol (CID 79087101) is 1-(dimethylamino)-4-methylidenehexan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-4-methylidenehexan-2-ol?
The canonical SMILES for 1-(dimethylamino)-4-methylidenehexan-2-ol is C=C(CC)CC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-4-methylidenehexan-2-ol?
The InChIKey is IBNVAUWFMDDJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(2)6-9(11)7-10(3)4/h9,11H,2,5-7H2,1,3-4H3.
What are the key properties of 1-(dimethylamino)-4-methylidenehexan-2-ol?
1-(dimethylamino)-4-methylidenehexan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-methylidenehexan-2-ol is sourced from PubChem (CID 79087101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).