1-(5-methylhexan-3-ylideneamino)propan-2-ol

C10H21NO — CID 126627667

IUPAC1-(5-methylhexan-3-ylideneamino)propan-2-ol
SMILESCC/C(CC(C)C)=N\CC(C)O
InChIInChI=1S/C10H21NO/c1-5-10(6-8(2)3)11-7-9(4)12/h8-9,12H,5-7H2,1-4H3/b11-10+
InChIKeyQOEFBDGKQOMKQK-ZHACJKMWSA-N
MW171.28 g/mol
LogP2.26
Rot. Bonds5

About 1-(5-methylhexan-3-ylideneamino)propan-2-ol

1-(5-methylhexan-3-ylideneamino)propan-2-ol (PubChem CID 126627667) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(5-methylhexan-3-ylideneamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-methylhexan-3-ylideneamino)propan-2-ol
PubChem CID126627667
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(5-methylhexan-3-ylideneamino)propan-2-ol
SMILESCC/C(CC(C)C)=N\CC(C)O
InChIInChI=1S/C10H21NO/c1-5-10(6-8(2)3)11-7-9(4)12/h8-9,12H,5-7H2,1-4H3/b11-10+
InChIKeyQOEFBDGKQOMKQK-ZHACJKMWSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-3-ylideneamino)propan-2-ol?
The IUPAC name of 1-(5-methylhexan-3-ylideneamino)propan-2-ol (CID 126627667) is 1-(5-methylhexan-3-ylideneamino)propan-2-ol.
What is the SMILES notation for 1-(5-methylhexan-3-ylideneamino)propan-2-ol?
The canonical SMILES for 1-(5-methylhexan-3-ylideneamino)propan-2-ol is CC/C(CC(C)C)=N\CC(C)O.
What is the InChIKey of 1-(5-methylhexan-3-ylideneamino)propan-2-ol?
The InChIKey is QOEFBDGKQOMKQK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(6-8(2)3)11-7-9(4)12/h8-9,12H,5-7H2,1-4H3/b11-10+.
What are the key properties of 1-(5-methylhexan-3-ylideneamino)propan-2-ol?
1-(5-methylhexan-3-ylideneamino)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-3-ylideneamino)propan-2-ol is sourced from PubChem (CID 126627667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).