acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol

C10H17NO — CID 143258843

IUPACacetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol
SMILESC#C.C=C(/C=C\CO)CCNC
InChIInChI=1S/C8H15NO.C2H2/c1-8(4-3-7-10)5-6-9-2;1-2/h3-4,9-10H,1,5-7H2,2H3;1-2H/b4-3-;
InChIKeyVPTFOTHFRRLIHX-LNKPDPKZSA-N
MW167.25 g/mol
LogP0.95
Rot. Bonds5

About acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol

acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol (PubChem CID 143258843) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol.

Molecular Properties

Compound Nameacetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol
PubChem CID143258843
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameacetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol
SMILESC#C.C=C(/C=C\CO)CCNC
InChIInChI=1S/C8H15NO.C2H2/c1-8(4-3-7-10)5-6-9-2;1-2/h3-4,9-10H,1,5-7H2,2H3;1-2H/b4-3-;
InChIKeyVPTFOTHFRRLIHX-LNKPDPKZSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933261
(1E,3Z)-4-[2-(methylamino)ethyl]hexa-1,3,5-trien-1-ol
CID 90444788
(2R,3E)-3-methyl-1-[[(Z)-3-methylidenehex-4-enyl]amino]hexa-3,5-dien-2-ol
CID 118447832
3-Methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol
CID 123343829
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
10-(But-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol
CID 140978684
ethane;2-[[(3Z,5Z)-3-ethenyl-4-methylhepta-3,5-dienyl]amino]ethanol
CID 142176523
(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol
CID 142920401
(Z,3E)-3-ethylidene-1-(methylamino)hex-4-en-2-ol
CID 142920412
(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol
CID 142920413
(E)-1-(methylamino)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
CID 142920415
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
CID 143258823

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol?
The IUPAC name of acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol (CID 143258843) is acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol.
What is the SMILES notation for acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol?
The canonical SMILES for acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol is C#C.C=C(/C=C\CO)CCNC.
What is the InChIKey of acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol?
The InChIKey is VPTFOTHFRRLIHX-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H15NO.C2H2/c1-8(4-3-7-10)5-6-9-2;1-2/h3-4,9-10H,1,5-7H2,2H3;1-2H/b4-3-;.
What are the key properties of acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol?
acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol is sourced from PubChem (CID 143258843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).