ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol

C12H25NO — CID 178112792

IUPACethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol
SMILESCC.CC/C=C(\C=C/C(C)NC)CO
InChIInChI=1S/C10H19NO.C2H6/c1-4-5-10(8-12)7-6-9(2)11-3;1-2/h5-7,9,11-12H,4,8H2,1-3H3;1-2H3/b7-6-,10-5+;
InChIKeyGHXAWIMVMHUAAX-LYKKQASXSA-N
MW199.34 g/mol
LogP2.51
Rot. Bonds5

About ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol

ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol (PubChem CID 178112792) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol.

Molecular Properties

Compound Nameethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol
PubChem CID178112792
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol
SMILESCC.CC/C=C(\C=C/C(C)NC)CO
InChIInChI=1S/C10H19NO.C2H6/c1-4-5-10(8-12)7-6-9(2)11-3;1-2/h5-7,9,11-12H,4,8H2,1-3H3;1-2H3/b7-6-,10-5+;
InChIKeyGHXAWIMVMHUAAX-LYKKQASXSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 137532715
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CID 164602682
Amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 70668155
(3-Aminocyclohexa-1,5-dien-1-yl)-[di(propan-2-yl)amino]methanol
CID 70892384
(Z,2E)-5-amino-2-propylidenehex-3-en-1-ol
CID 88270604
(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol
CID 89038763
(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol
CID 89073953
(4-Aminocyclohexa-1,5-dien-1-yl)methanol
CID 89073993
(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
CID 89088346
(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol
CID 89098989
(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol
CID 89154009
(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol
CID 89298879

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol?
The IUPAC name of ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol (CID 178112792) is ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol.
What is the SMILES notation for ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol?
The canonical SMILES for ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol is CC.CC/C=C(\C=C/C(C)NC)CO.
What is the InChIKey of ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol?
The InChIKey is GHXAWIMVMHUAAX-LYKKQASXSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-4-5-10(8-12)7-6-9(2)11-3;1-2/h5-7,9,11-12H,4,8H2,1-3H3;1-2H3/b7-6-,10-5+;.
What are the key properties of ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol?
ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2E)-5-(methylamino)-2-propylidenehex-3-en-1-ol is sourced from PubChem (CID 178112792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).