4-amino-6-methylhept-1-en-3-ol

C8H17NO — CID 14033271

IUPAC4-amino-6-methylhept-1-en-3-ol
SMILESC=CC(O)C(N)CC(C)C
InChIInChI=1S/C8H17NO/c1-4-8(10)7(9)5-6(2)3/h4,6-8,10H,1,5,9H2,2-3H3
InChIKeyZLIBGPHNVLZNQS-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-6-methylhept-1-en-3-ol

4-amino-6-methylhept-1-en-3-ol (PubChem CID 14033271) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-amino-6-methylhept-1-en-3-ol.

Molecular Properties

Compound Name4-amino-6-methylhept-1-en-3-ol
PubChem CID14033271
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-amino-6-methylhept-1-en-3-ol
SMILESC=CC(O)C(N)CC(C)C
InChIInChI=1S/C8H17NO/c1-4-8(10)7(9)5-6(2)3/h4,6-8,10H,1,5,9H2,2-3H3
InChIKeyZLIBGPHNVLZNQS-UHFFFAOYSA-N
XLogP0.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylhept-1-en-3-ol?
The IUPAC name of 4-amino-6-methylhept-1-en-3-ol (CID 14033271) is 4-amino-6-methylhept-1-en-3-ol.
What is the SMILES notation for 4-amino-6-methylhept-1-en-3-ol?
The canonical SMILES for 4-amino-6-methylhept-1-en-3-ol is C=CC(O)C(N)CC(C)C.
What is the InChIKey of 4-amino-6-methylhept-1-en-3-ol?
The InChIKey is ZLIBGPHNVLZNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(10)7(9)5-6(2)3/h4,6-8,10H,1,5,9H2,2-3H3.
What are the key properties of 4-amino-6-methylhept-1-en-3-ol?
4-amino-6-methylhept-1-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylhept-1-en-3-ol is sourced from PubChem (CID 14033271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).