7-amino-6-methylideneoctan-1-ol

C9H19NO — CID 91152854

IUPAC7-amino-6-methylideneoctan-1-ol
SMILESC=C(CCCCCO)C(C)N
InChIInChI=1S/C9H19NO/c1-8(9(2)10)6-4-3-5-7-11/h9,11H,1,3-7,10H2,2H3
InChIKeyXORLDMACLQGLTR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.44
Rot. Bonds6

About 7-amino-6-methylideneoctan-1-ol

7-amino-6-methylideneoctan-1-ol (PubChem CID 91152854) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 7-amino-6-methylideneoctan-1-ol.

Molecular Properties

Compound Name7-amino-6-methylideneoctan-1-ol
PubChem CID91152854
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name7-amino-6-methylideneoctan-1-ol
SMILESC=C(CCCCCO)C(C)N
InChIInChI=1S/C9H19NO/c1-8(9(2)10)6-4-3-5-7-11/h9,11H,1,3-7,10H2,2H3
InChIKeyXORLDMACLQGLTR-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.44
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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Related Compounds

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Halaminol B
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7-Amino-5-methylideneoctan-1-ol
CID 89122258
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CID 124112396
8-Aminoundec-10-en-1-ol
CID 134550869
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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methylideneoctan-1-ol?
The IUPAC name of 7-amino-6-methylideneoctan-1-ol (CID 91152854) is 7-amino-6-methylideneoctan-1-ol.
What is the SMILES notation for 7-amino-6-methylideneoctan-1-ol?
The canonical SMILES for 7-amino-6-methylideneoctan-1-ol is C=C(CCCCCO)C(C)N.
What is the InChIKey of 7-amino-6-methylideneoctan-1-ol?
The InChIKey is XORLDMACLQGLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(9(2)10)6-4-3-5-7-11/h9,11H,1,3-7,10H2,2H3.
What are the key properties of 7-amino-6-methylideneoctan-1-ol?
7-amino-6-methylideneoctan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methylideneoctan-1-ol is sourced from PubChem (CID 91152854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).