2-(dimethylamino)-2-methylhept-6-en-3-ol

C10H21NO — CID 79047397

IUPAC2-(dimethylamino)-2-methylhept-6-en-3-ol
SMILESC=CCCC(O)C(C)(C)N(C)C
InChIInChI=1S/C10H21NO/c1-6-7-8-9(12)10(2,3)11(4)5/h6,9,12H,1,7-8H2,2-5H3
InChIKeyTUQSEWHBQRLXTD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.65
Rot. Bonds5

About 2-(dimethylamino)-2-methylhept-6-en-3-ol

2-(dimethylamino)-2-methylhept-6-en-3-ol (PubChem CID 79047397) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylhept-6-en-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylhept-6-en-3-ol
PubChem CID79047397
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(dimethylamino)-2-methylhept-6-en-3-ol
SMILESC=CCCC(O)C(C)(C)N(C)C
InChIInChI=1S/C10H21NO/c1-6-7-8-9(12)10(2,3)11(4)5/h6,9,12H,1,7-8H2,2-5H3
InChIKeyTUQSEWHBQRLXTD-UHFFFAOYSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.65
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-methylhept-6-en-3-ol?
The IUPAC name of 2-(dimethylamino)-2-methylhept-6-en-3-ol (CID 79047397) is 2-(dimethylamino)-2-methylhept-6-en-3-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methylhept-6-en-3-ol?
The canonical SMILES for 2-(dimethylamino)-2-methylhept-6-en-3-ol is C=CCCC(O)C(C)(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methylhept-6-en-3-ol?
The InChIKey is TUQSEWHBQRLXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7-8-9(12)10(2,3)11(4)5/h6,9,12H,1,7-8H2,2-5H3.
What are the key properties of 2-(dimethylamino)-2-methylhept-6-en-3-ol?
2-(dimethylamino)-2-methylhept-6-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylhept-6-en-3-ol is sourced from PubChem (CID 79047397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).