(E)-3-amino-4-methylhept-4-en-1-ol

C8H17NO — CID 163963192

IUPAC(E)-3-amino-4-methylhept-4-en-1-ol
SMILESCC/C=C(\C)C(N)CCO
InChIInChI=1S/C8H17NO/c1-3-4-7(2)8(9)5-6-10/h4,8,10H,3,5-6,9H2,1-2H3/b7-4+
InChIKeySJHNRBKUCNSUMX-QPJJXVBHSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds4

About (E)-3-amino-4-methylhept-4-en-1-ol

(E)-3-amino-4-methylhept-4-en-1-ol (PubChem CID 163963192) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-3-amino-4-methylhept-4-en-1-ol.

Molecular Properties

Compound Name(E)-3-amino-4-methylhept-4-en-1-ol
PubChem CID163963192
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-3-amino-4-methylhept-4-en-1-ol
SMILESCC/C=C(\C)C(N)CCO
InChIInChI=1S/C8H17NO/c1-3-4-7(2)8(9)5-6-10/h4,8,10H,3,5-6,9H2,1-2H3/b7-4+
InChIKeySJHNRBKUCNSUMX-QPJJXVBHSA-N
XLogP1.05
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 ≤ 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 (E)-3-amino-4-methylhept-4-en-1-ol?
The IUPAC name of (E)-3-amino-4-methylhept-4-en-1-ol (CID 163963192) is (E)-3-amino-4-methylhept-4-en-1-ol.
What is the SMILES notation for (E)-3-amino-4-methylhept-4-en-1-ol?
The canonical SMILES for (E)-3-amino-4-methylhept-4-en-1-ol is CC/C=C(\C)C(N)CCO.
What is the InChIKey of (E)-3-amino-4-methylhept-4-en-1-ol?
The InChIKey is SJHNRBKUCNSUMX-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-7(2)8(9)5-6-10/h4,8,10H,3,5-6,9H2,1-2H3/b7-4+.
What are the key properties of (E)-3-amino-4-methylhept-4-en-1-ol?
(E)-3-amino-4-methylhept-4-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-4-methylhept-4-en-1-ol is sourced from PubChem (CID 163963192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).