1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol

C16H29NO — CID 71383106

IUPAC1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol
SMILESCCCCCC#CC(N(C)C)C1(O)CCCCC1
InChIInChI=1S/C16H29NO/c1-4-5-6-7-9-12-15(17(2)3)16(18)13-10-8-11-14-16/h15,18H,4-8,10-11,13-14H2,1-3H3
InChIKeyDRTWXDMOSGVSOL-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol

1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol (PubChem CID 71383106) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol
PubChem CID71383106
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol
SMILESCCCCCC#CC(N(C)C)C1(O)CCCCC1
InChIInChI=1S/C16H29NO/c1-4-5-6-7-9-12-15(17(2)3)16(18)13-10-8-11-14-16/h15,18H,4-8,10-11,13-14H2,1-3H3
InChIKeyDRTWXDMOSGVSOL-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-oct-3-yn-2-ylcyclohexan-1-ol
CID 11805930
gold;1-tetradeca-1,3-diynylcyclohexan-1-ol
CID 87675243
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
(2R)-dec-3-yn-2-ol
CID 129384454
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
(2S)-heptadec-3-yn-2-ol
CID 58473313
2-(1-hydroxycyclopentyl)decanal
CID 15853016
tetracos-13-yn-12-ol
CID 169488986
non-3-yne-1,2-diol
CID 72760493
heptacos-10-yn-9-ol
CID 11058298

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol (CID 71383106) is 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol is CCCCCC#CC(N(C)C)C1(O)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol?
The InChIKey is DRTWXDMOSGVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-5-6-7-9-12-15(17(2)3)16(18)13-10-8-11-14-16/h15,18H,4-8,10-11,13-14H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol?
1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 71383106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).