1-(dimethylamino)oct-7-en-3-ol

C10H21NO — CID 115345967

IUPAC1-(dimethylamino)oct-7-en-3-ol
SMILESC=CCCCC(O)CCN(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-10(12)8-9-11(2)3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyOKIBEJBPWLVCKX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds7

About 1-(dimethylamino)oct-7-en-3-ol

1-(dimethylamino)oct-7-en-3-ol (PubChem CID 115345967) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(dimethylamino)oct-7-en-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)oct-7-en-3-ol
PubChem CID115345967
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(dimethylamino)oct-7-en-3-ol
SMILESC=CCCCC(O)CCN(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-10(12)8-9-11(2)3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyOKIBEJBPWLVCKX-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[Di(propan-2-yl)amino]oct-7-en-2-ol
CID 22975453
1-(Dimethylamino)hex-5-en-2-ol
CID 79087203
[(Z)-3-hydroxypentacos-16-enyl]-trimethylazanium
CID 87593766
1-(Dimethylamino)hept-6-en-1-ol
CID 90702481
4-(Dimethylamino)nona-7,8-dien-2-ol
CID 130178051
1-(Dimethylamino)dec-9-en-1-ol
CID 137426970
5-(Dimethylamino)hept-6-en-2-ol
CID 138732053
5-[[Methyl(propyl)amino]methyl]oct-7-en-3-ol
CID 139336744
1,2-Bis(prop-2-enyl)piperidin-4-ol
CID 156701736
2-Hydroxyhex-5-enyl(trimethyl)azanium
CID 173205630
(4S)-2-ethenyl-1,6-dimethylpiperidin-4-ol
CID 173848227
1-(Diethylamino)hept-6-en-3-ol
CID 79086684

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)oct-7-en-3-ol?
The IUPAC name of 1-(dimethylamino)oct-7-en-3-ol (CID 115345967) is 1-(dimethylamino)oct-7-en-3-ol.
What is the SMILES notation for 1-(dimethylamino)oct-7-en-3-ol?
The canonical SMILES for 1-(dimethylamino)oct-7-en-3-ol is C=CCCCC(O)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)oct-7-en-3-ol?
The InChIKey is OKIBEJBPWLVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-10(12)8-9-11(2)3/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of 1-(dimethylamino)oct-7-en-3-ol?
1-(dimethylamino)oct-7-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)oct-7-en-3-ol is sourced from PubChem (CID 115345967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).