1-amino-3-methylidenehex-4-en-2-ol

C7H13NO — CID 123634010

IUPAC1-amino-3-methylidenehex-4-en-2-ol
SMILESC=C(C=CC)C(O)CN
InChIInChI=1S/C7H13NO/c1-3-4-6(2)7(9)5-8/h3-4,7,9H,2,5,8H2,1H3
InChIKeyHADJZJDDMFBBRR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds3

About 1-amino-3-methylidenehex-4-en-2-ol

1-amino-3-methylidenehex-4-en-2-ol (PubChem CID 123634010) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-amino-3-methylidenehex-4-en-2-ol.

Molecular Properties

Compound Name1-amino-3-methylidenehex-4-en-2-ol
PubChem CID123634010
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-amino-3-methylidenehex-4-en-2-ol
SMILESC=C(C=CC)C(O)CN
InChIInChI=1S/C7H13NO/c1-3-4-6(2)7(9)5-8/h3-4,7,9H,2,5,8H2,1H3
InChIKeyHADJZJDDMFBBRR-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
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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(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
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4-(2-Aminoethyl)cyclohexa-3,5-diene-1,2-diol
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(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylidenehex-4-en-2-ol?
The IUPAC name of 1-amino-3-methylidenehex-4-en-2-ol (CID 123634010) is 1-amino-3-methylidenehex-4-en-2-ol.
What is the SMILES notation for 1-amino-3-methylidenehex-4-en-2-ol?
The canonical SMILES for 1-amino-3-methylidenehex-4-en-2-ol is C=C(C=CC)C(O)CN.
What is the InChIKey of 1-amino-3-methylidenehex-4-en-2-ol?
The InChIKey is HADJZJDDMFBBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-6(2)7(9)5-8/h3-4,7,9H,2,5,8H2,1H3.
What are the key properties of 1-amino-3-methylidenehex-4-en-2-ol?
1-amino-3-methylidenehex-4-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylidenehex-4-en-2-ol is sourced from PubChem (CID 123634010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).