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

C10H21NO — CID 114474002

IUPAC1-(dimethylamino)-6-methylhept-6-en-3-ol
SMILESC=C(C)CCC(O)CCN(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-6-10(12)7-8-11(3)4/h10,12H,1,5-8H2,2-4H3
InChIKeySRACJGJXNXTDHH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds6

About 1-(dimethylamino)-6-methylhept-6-en-3-ol

1-(dimethylamino)-6-methylhept-6-en-3-ol (PubChem CID 114474002) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(dimethylamino)-6-methylhept-6-en-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-6-methylhept-6-en-3-ol
PubChem CID114474002
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(dimethylamino)-6-methylhept-6-en-3-ol
SMILESC=C(C)CCC(O)CCN(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-6-10(12)7-8-11(3)4/h10,12H,1,5-8H2,2-4H3
InChIKeySRACJGJXNXTDHH-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-Hydroxy-4-methylpent-4-enyl)-trimethylazanium
CID 21115588
1-(Dimethylamino)oct-7-en-3-ol
CID 115345967
Tributyl-(6-hydroxy-7-methyloct-7-enyl)azanium
CID 132156540
1-(Dimethylamino)-6-methyloct-6-en-4-ol
CID 141202877
6-(Dimethylamino)-2-methylhex-1-en-3-ol
CID 155111222
1-(Methylamino)-4-methylideneheptan-3-ol
CID 163451396
(2-Hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium
CID 174901394
2-(Diethylaminomethyl)non-1-en-4-ol
CID 10082471
1-(5-butyl-3,4-dihydro-2H-pyridin-1-yl)heptan-3-ol
CID 10083627
1-(Diethylamino)hept-6-en-3-ol
CID 79086684
1-(Diethylamino)-5-methylideneheptan-3-ol
CID 79087072
1-(Dimethylamino)-4-methylidenehexan-2-ol
CID 79087101

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-6-methylhept-6-en-3-ol?
The IUPAC name of 1-(dimethylamino)-6-methylhept-6-en-3-ol (CID 114474002) is 1-(dimethylamino)-6-methylhept-6-en-3-ol.
What is the SMILES notation for 1-(dimethylamino)-6-methylhept-6-en-3-ol?
The canonical SMILES for 1-(dimethylamino)-6-methylhept-6-en-3-ol is C=C(C)CCC(O)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)-6-methylhept-6-en-3-ol?
The InChIKey is SRACJGJXNXTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-6-10(12)7-8-11(3)4/h10,12H,1,5-8H2,2-4H3.
What are the key properties of 1-(dimethylamino)-6-methylhept-6-en-3-ol?
1-(dimethylamino)-6-methylhept-6-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-6-methylhept-6-en-3-ol is sourced from PubChem (CID 114474002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).