7-(methylamino)hept-1-en-4-ol

C8H17NO — CID 23122171

IUPAC7-(methylamino)hept-1-en-4-ol
SMILESC=CCC(O)CCCNC
InChIInChI=1S/C8H17NO/c1-3-5-8(10)6-4-7-9-2/h3,8-10H,1,4-7H2,2H3
InChIKeyIWIVPRGELROOPV-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds6

About 7-(methylamino)hept-1-en-4-ol

7-(methylamino)hept-1-en-4-ol (PubChem CID 23122171) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 7-(methylamino)hept-1-en-4-ol.

Molecular Properties

Compound Name7-(methylamino)hept-1-en-4-ol
PubChem CID23122171
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name7-(methylamino)hept-1-en-4-ol
SMILESC=CCC(O)CCCNC
InChIInChI=1S/C8H17NO/c1-3-5-8(10)6-4-7-9-2/h3,8-10H,1,4-7H2,2H3
InChIKeyIWIVPRGELROOPV-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)hept-1-en-4-ol?
The IUPAC name of 7-(methylamino)hept-1-en-4-ol (CID 23122171) is 7-(methylamino)hept-1-en-4-ol.
What is the SMILES notation for 7-(methylamino)hept-1-en-4-ol?
The canonical SMILES for 7-(methylamino)hept-1-en-4-ol is C=CCC(O)CCCNC.
What is the InChIKey of 7-(methylamino)hept-1-en-4-ol?
The InChIKey is IWIVPRGELROOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(10)6-4-7-9-2/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 7-(methylamino)hept-1-en-4-ol?
7-(methylamino)hept-1-en-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)hept-1-en-4-ol is sourced from PubChem (CID 23122171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).