2-(dimethylamino)-2-methylhex-5-en-3-ol

C9H19NO — CID 79047511

IUPAC2-(dimethylamino)-2-methylhex-5-en-3-ol
SMILESC=CCC(O)C(C)(C)N(C)C
InChIInChI=1S/C9H19NO/c1-6-7-8(11)9(2,3)10(4)5/h6,8,11H,1,7H2,2-5H3
InChIKeyZNLOBPWXNBKJPP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.26
Rot. Bonds4

About 2-(dimethylamino)-2-methylhex-5-en-3-ol

2-(dimethylamino)-2-methylhex-5-en-3-ol (PubChem CID 79047511) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylhex-5-en-3-ol
PubChem CID79047511
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(dimethylamino)-2-methylhex-5-en-3-ol
SMILESC=CCC(O)C(C)(C)N(C)C
InChIInChI=1S/C9H19NO/c1-6-7-8(11)9(2,3)10(4)5/h6,8,11H,1,7H2,2-5H3
InChIKeyZNLOBPWXNBKJPP-UHFFFAOYSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.26
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 2-(dimethylamino)-2-methylhex-5-en-3-ol?
The IUPAC name of 2-(dimethylamino)-2-methylhex-5-en-3-ol (CID 79047511) is 2-(dimethylamino)-2-methylhex-5-en-3-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methylhex-5-en-3-ol?
The canonical SMILES for 2-(dimethylamino)-2-methylhex-5-en-3-ol is C=CCC(O)C(C)(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methylhex-5-en-3-ol?
The InChIKey is ZNLOBPWXNBKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-7-8(11)9(2,3)10(4)5/h6,8,11H,1,7H2,2-5H3.
What are the key properties of 2-(dimethylamino)-2-methylhex-5-en-3-ol?
2-(dimethylamino)-2-methylhex-5-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylhex-5-en-3-ol is sourced from PubChem (CID 79047511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).