(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol

C12H21NO — CID 142589710

IUPAC(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol
SMILESC=C/C(CN)=C(\C=C)CCC(O)CC
InChIInChI=1S/C12H21NO/c1-4-10(11(5-2)9-13)7-8-12(14)6-3/h4-5,12,14H,1-2,6-9,13H2,3H3/b11-10-
InChIKeyAEAYYDYYFKBXFW-KHPPLWFESA-N
MW195.31 g/mol
LogP2.16
Rot. Bonds7

About (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol

(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol (PubChem CID 142589710) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol.

Molecular Properties

Compound Name(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol
PubChem CID142589710
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol
SMILESC=C/C(CN)=C(\C=C)CCC(O)CC
InChIInChI=1S/C12H21NO/c1-4-10(11(5-2)9-13)7-8-12(14)6-3/h4-5,12,14H,1-2,6-9,13H2,3H3/b11-10-
InChIKeyAEAYYDYYFKBXFW-KHPPLWFESA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.16
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

(2R,3Z,7E,9E,13R)-2-amino-13-methoxy-10-methylhexadeca-3,7,9,15-tetraen-1-ol
CID 11077232
(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol
CID 142409612
(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol
CID 144635801
(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol;ethane
CID 153544568
(Z)-5-(2-aminoethyl)-4-methylidenehept-5-en-2-ol
CID 164057001
(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol
CID 101231160

Frequently Asked Questions

What is the IUPAC name of (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol?
The IUPAC name of (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol (CID 142589710) is (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol.
What is the SMILES notation for (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol?
The canonical SMILES for (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol is C=C/C(CN)=C(\C=C)CCC(O)CC.
What is the InChIKey of (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol?
The InChIKey is AEAYYDYYFKBXFW-KHPPLWFESA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10(11(5-2)9-13)7-8-12(14)6-3/h4-5,12,14H,1-2,6-9,13H2,3H3/b11-10-.
What are the key properties of (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol?
(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol has a molecular weight of 195.31 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol is sourced from PubChem (CID 142589710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).