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

C8H17NO — CID 145136938

IUPAC1-(dimethylamino)hex-5-en-1-ol
SMILESC=CCCCC(O)N(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyWVDGNYOEYQAJRT-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.22
Rot. Bonds5

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

1-(dimethylamino)hex-5-en-1-ol (PubChem CID 145136938) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(dimethylamino)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(dimethylamino)hex-5-en-1-ol
PubChem CID145136938
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(dimethylamino)hex-5-en-1-ol
SMILESC=CCCCC(O)N(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyWVDGNYOEYQAJRT-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyloct-7-en-3-amine
CID 142842178
2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol
CID 88885841
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
1-fluorohex-5-en-1-ol
CID 165382533
CID 156745698
CID 156745698
(2S)-N,N,2-trimethylhept-6-enamide
CID 89146514
nona-1,8-dien-4-ol
CID 14385456
1-(dimethylamino)pentadecan-1-ol
CID 87151804
1-(dimethylamino)decane-1,10-diol
CID 139819105
1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
CID 105102029
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)hex-5-en-1-ol?
The IUPAC name of 1-(dimethylamino)hex-5-en-1-ol (CID 145136938) is 1-(dimethylamino)hex-5-en-1-ol.
What is the SMILES notation for 1-(dimethylamino)hex-5-en-1-ol?
The canonical SMILES for 1-(dimethylamino)hex-5-en-1-ol is C=CCCCC(O)N(C)C.
What is the InChIKey of 1-(dimethylamino)hex-5-en-1-ol?
The InChIKey is WVDGNYOEYQAJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 1-(dimethylamino)hex-5-en-1-ol?
1-(dimethylamino)hex-5-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)hex-5-en-1-ol is sourced from PubChem (CID 145136938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).