7-imino-2-methyloctan-1-ol

C9H19NO — CID 58165084

IUPAC7-imino-2-methyloctan-1-ol
SMILES[H]/N=C(\C)CCCCC(C)CO
InChIInChI=1S/C9H19NO/c1-8(7-11)5-3-4-6-9(2)10/h8,10-11H,3-7H2,1-2H3/b10-9+
InChIKeyDVDATNBLSFHBBY-MDZDMXLPSA-N
MW157.26 g/mol
LogP2.21
Rot. Bonds6

About 7-imino-2-methyloctan-1-ol

7-imino-2-methyloctan-1-ol (PubChem CID 58165084) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 7-imino-2-methyloctan-1-ol.

Molecular Properties

Compound Name7-imino-2-methyloctan-1-ol
PubChem CID58165084
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name7-imino-2-methyloctan-1-ol
SMILES[H]/N=C(\C)CCCCC(C)CO
InChIInChI=1S/C9H19NO/c1-8(7-11)5-3-4-6-9(2)10/h8,10-11H,3-7H2,1-2H3/b10-9+
InChIKeyDVDATNBLSFHBBY-MDZDMXLPSA-N
XLogP2.21
TPSA44.08 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-imino-2-methyloctan-1-ol?
The IUPAC name of 7-imino-2-methyloctan-1-ol (CID 58165084) is 7-imino-2-methyloctan-1-ol.
What is the SMILES notation for 7-imino-2-methyloctan-1-ol?
The canonical SMILES for 7-imino-2-methyloctan-1-ol is [H]/N=C(\C)CCCCC(C)CO.
What is the InChIKey of 7-imino-2-methyloctan-1-ol?
The InChIKey is DVDATNBLSFHBBY-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(7-11)5-3-4-6-9(2)10/h8,10-11H,3-7H2,1-2H3/b10-9+.
What are the key properties of 7-imino-2-methyloctan-1-ol?
7-imino-2-methyloctan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-2-methyloctan-1-ol is sourced from PubChem (CID 58165084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).