2-(dimethylamino)hex-5-en-1-ol

C8H17NO — CID 131050501

IUPAC2-(dimethylamino)hex-5-en-1-ol
SMILESC=CCCC(CO)N(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-8(7-10)9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyBKWMWRMANMEYIR-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds5

About 2-(dimethylamino)hex-5-en-1-ol

2-(dimethylamino)hex-5-en-1-ol (PubChem CID 131050501) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(dimethylamino)hex-5-en-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)hex-5-en-1-ol
PubChem CID131050501
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(dimethylamino)hex-5-en-1-ol
SMILESC=CCCC(CO)N(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-8(7-10)9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyBKWMWRMANMEYIR-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethyloct-7-en-4-amine
CID 144657583
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
N,N-dimethyloct-7-en-3-amine
CID 142842178
2-(dimethylamino)-4-methylsulfanylbutan-1-ol
CID 74829585
1-chloro-4-(dimethylamino)pentane-1,5-diol
CID 129013782
1-(dimethylamino)hex-5-en-1-ol
CID 145136938
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
CID 130146681
(2S)-2-(dimethylamino)but-3-en-1-ol
CID 138983091
1-bromo-N,N-dimethylhex-5-en-3-amine
CID 88601694
3-N,3-N-dimethylhex-5-ene-1,3-diamine
CID 87074898
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)hex-5-en-1-ol?
The IUPAC name of 2-(dimethylamino)hex-5-en-1-ol (CID 131050501) is 2-(dimethylamino)hex-5-en-1-ol.
What is the SMILES notation for 2-(dimethylamino)hex-5-en-1-ol?
The canonical SMILES for 2-(dimethylamino)hex-5-en-1-ol is C=CCCC(CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)hex-5-en-1-ol?
The InChIKey is BKWMWRMANMEYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-6-8(7-10)9(2)3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 2-(dimethylamino)hex-5-en-1-ol?
2-(dimethylamino)hex-5-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)hex-5-en-1-ol is sourced from PubChem (CID 131050501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).