5-(dimethylamino)-5-methylhept-1-en-4-ol

C10H21NO — CID 79064162

IUPAC5-(dimethylamino)-5-methylhept-1-en-4-ol
SMILESC=CCC(O)C(C)(CC)N(C)C
InChIInChI=1S/C10H21NO/c1-6-8-9(12)10(3,7-2)11(4)5/h6,9,12H,1,7-8H2,2-5H3
InChIKeyBHBRHDFCDVQOOD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.65
Rot. Bonds5

About 5-(dimethylamino)-5-methylhept-1-en-4-ol

5-(dimethylamino)-5-methylhept-1-en-4-ol (PubChem CID 79064162) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(dimethylamino)-5-methylhept-1-en-4-ol.

Molecular Properties

Compound Name5-(dimethylamino)-5-methylhept-1-en-4-ol
PubChem CID79064162
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(dimethylamino)-5-methylhept-1-en-4-ol
SMILESC=CCC(O)C(C)(CC)N(C)C
InChIInChI=1S/C10H21NO/c1-6-8-9(12)10(3,7-2)11(4)5/h6,9,12H,1,7-8H2,2-5H3
InChIKeyBHBRHDFCDVQOOD-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'}

Analyze 5-(dimethylamino)-5-methylhept-1-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,3-N,4-N,3-tetramethylhept-6-ene-3,4-diamine
CID 79063149
3-ethylhept-6-ene-3,4-diol
CID 57004244
3-(dimethylamino)-3-methyltetradecan-4-ol
CID 79064165
(2S)-1,1,1-trichloropent-4-en-2-ol
CID 54233879
(3S)-2,2-dimethylhex-5-ene-1,3-diol
CID 53235915
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064295
3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
CID 79062969
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79062858
1-cyclohexyl-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064519
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064420
hex-5-en-3-ol
CID 158321330
(3S)-hex-5-en-3-ol
CID 10749148

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-methylhept-1-en-4-ol?
The IUPAC name of 5-(dimethylamino)-5-methylhept-1-en-4-ol (CID 79064162) is 5-(dimethylamino)-5-methylhept-1-en-4-ol.
What is the SMILES notation for 5-(dimethylamino)-5-methylhept-1-en-4-ol?
The canonical SMILES for 5-(dimethylamino)-5-methylhept-1-en-4-ol is C=CCC(O)C(C)(CC)N(C)C.
What is the InChIKey of 5-(dimethylamino)-5-methylhept-1-en-4-ol?
The InChIKey is BHBRHDFCDVQOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-8-9(12)10(3,7-2)11(4)5/h6,9,12H,1,7-8H2,2-5H3.
What are the key properties of 5-(dimethylamino)-5-methylhept-1-en-4-ol?
5-(dimethylamino)-5-methylhept-1-en-4-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 5-(dimethylamino)-5-methylhept-1-en-4-ol is sourced from PubChem (CID 79064162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).