4-(4-methylpentan-2-ylideneamino)butan-1-ol

C10H21NO — CID 173350729

IUPAC4-(4-methylpentan-2-ylideneamino)butan-1-ol
SMILESC/C(CC(C)C)=N\CCCCO
InChIInChI=1S/C10H21NO/c1-9(2)8-10(3)11-6-4-5-7-12/h9,12H,4-8H2,1-3H3/b11-10+
InChIKeyYLCIBWDLMSPVQF-ZHACJKMWSA-N
MW171.28 g/mol
LogP2.27
Rot. Bonds6

About 4-(4-methylpentan-2-ylideneamino)butan-1-ol

4-(4-methylpentan-2-ylideneamino)butan-1-ol (PubChem CID 173350729) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(4-methylpentan-2-ylideneamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methylpentan-2-ylideneamino)butan-1-ol
PubChem CID173350729
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(4-methylpentan-2-ylideneamino)butan-1-ol
SMILESC/C(CC(C)C)=N\CCCCO
InChIInChI=1S/C10H21NO/c1-9(2)8-10(3)11-6-4-5-7-12/h9,12H,4-8H2,1-3H3/b11-10+
InChIKeyYLCIBWDLMSPVQF-ZHACJKMWSA-N
XLogP2.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 4-(4-methylpentan-2-ylideneamino)butan-1-ol?
The IUPAC name of 4-(4-methylpentan-2-ylideneamino)butan-1-ol (CID 173350729) is 4-(4-methylpentan-2-ylideneamino)butan-1-ol.
What is the SMILES notation for 4-(4-methylpentan-2-ylideneamino)butan-1-ol?
The canonical SMILES for 4-(4-methylpentan-2-ylideneamino)butan-1-ol is C/C(CC(C)C)=N\CCCCO.
What is the InChIKey of 4-(4-methylpentan-2-ylideneamino)butan-1-ol?
The InChIKey is YLCIBWDLMSPVQF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)8-10(3)11-6-4-5-7-12/h9,12H,4-8H2,1-3H3/b11-10+.
What are the key properties of 4-(4-methylpentan-2-ylideneamino)butan-1-ol?
4-(4-methylpentan-2-ylideneamino)butan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-ylideneamino)butan-1-ol is sourced from PubChem (CID 173350729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).