(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol

C8H13NO — CID 145191934

IUPAC(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
SMILESC=C/C(CN)=C(O)\C=C/C
InChIInChI=1S/C8H13NO/c1-3-5-8(10)7(4-2)6-9/h3-5,10H,2,6,9H2,1H3/b5-3-,8-7-
InChIKeyOQNRRNCKRLTEFH-OVRZELKPSA-N
MW139.20 g/mol
LogP1.52
Rot. Bonds3

About (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol

(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol (PubChem CID 145191934) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
PubChem CID145191934
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
SMILESC=C/C(CN)=C(O)\C=C/C
InChIInChI=1S/C8H13NO/c1-3-5-8(10)7(4-2)6-9/h3-5,10H,2,6,9H2,1H3/b5-3-,8-7-
InChIKeyOQNRRNCKRLTEFH-OVRZELKPSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
(3E,5Z)-3-(aminomethyl)-2-nitrohepta-1,3,5-trien-4-ol;ethane
CID 142874828
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
CID 143682761
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(E)-2-ethenylbut-2-en-1-amine
CID 142131613

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol?
The IUPAC name of (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol (CID 145191934) is (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol.
What is the SMILES notation for (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol?
The canonical SMILES for (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol is C=C/C(CN)=C(O)\C=C/C.
What is the InChIKey of (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol?
The InChIKey is OQNRRNCKRLTEFH-OVRZELKPSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8(10)7(4-2)6-9/h3-5,10H,2,6,9H2,1H3/b5-3-,8-7-.
What are the key properties of (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol?
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol has a molecular weight of 139.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol is sourced from PubChem (CID 145191934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).