6-amino-2-methylhept-3-en-2-ol

C8H17NO — CID 87955036

IUPAC6-amino-2-methylhept-3-en-2-ol
SMILESCC(N)CC=CC(C)(C)O
InChIInChI=1S/C8H17NO/c1-7(9)5-4-6-8(2,3)10/h4,6-7,10H,5,9H2,1-3H3
InChIKeyKXXIMSLORCGGPO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds3

About 6-amino-2-methylhept-3-en-2-ol

6-amino-2-methylhept-3-en-2-ol (PubChem CID 87955036) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-amino-2-methylhept-3-en-2-ol.

Molecular Properties

Compound Name6-amino-2-methylhept-3-en-2-ol
PubChem CID87955036
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-amino-2-methylhept-3-en-2-ol
SMILESCC(N)CC=CC(C)(C)O
InChIInChI=1S/C8H17NO/c1-7(9)5-4-6-8(2,3)10/h4,6-7,10H,5,9H2,1-3H3
InChIKeyKXXIMSLORCGGPO-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.05
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 6-amino-2-methylhept-3-en-2-ol?
The IUPAC name of 6-amino-2-methylhept-3-en-2-ol (CID 87955036) is 6-amino-2-methylhept-3-en-2-ol.
What is the SMILES notation for 6-amino-2-methylhept-3-en-2-ol?
The canonical SMILES for 6-amino-2-methylhept-3-en-2-ol is CC(N)CC=CC(C)(C)O.
What is the InChIKey of 6-amino-2-methylhept-3-en-2-ol?
The InChIKey is KXXIMSLORCGGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(9)5-4-6-8(2,3)10/h4,6-7,10H,5,9H2,1-3H3.
What are the key properties of 6-amino-2-methylhept-3-en-2-ol?
6-amino-2-methylhept-3-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylhept-3-en-2-ol is sourced from PubChem (CID 87955036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).