4-iminohexan-2-ol

C6H13NO — CID 142041355

IUPAC4-iminohexan-2-ol
SMILES[H]/N=C(\CC)CC(C)O
InChIInChI=1S/C6H13NO/c1-3-6(7)4-5(2)8/h5,7-8H,3-4H2,1-2H3/b7-6+
InChIKeyBHTQEJFNGYKLNO-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.19
Rot. Bonds3

About 4-iminohexan-2-ol

4-iminohexan-2-ol (PubChem CID 142041355) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-iminohexan-2-ol.

Molecular Properties

Compound Name4-iminohexan-2-ol
PubChem CID142041355
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-iminohexan-2-ol
SMILES[H]/N=C(\CC)CC(C)O
InChIInChI=1S/C6H13NO/c1-3-6(7)4-5(2)8/h5,7-8H,3-4H2,1-2H3/b7-6+
InChIKeyBHTQEJFNGYKLNO-VOTSOKGWSA-N
XLogP1.19
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Iminocyclohexanol
CID 21113633
4-Iminopentanol
CID 123912692
3-Iminobutan-1-ol
CID 54468047
3-Iminopentan-1-ol
CID 57151415
3-Iminocyclopentan-1-ol
CID 57278866
3-Iminohexan-1-ol
CID 57298949
3-Iminobutan-2-ol
CID 57634791
6-Hydroxyhexan-2-ylideneazanium
CID 59112895
5-Iminohexan-1-ol
CID 59112896
4-Iminocyclohexan-1-ol
CID 59686949
[(4R)-4-hydroxyhexan-3-ylidene]azanium
CID 59915605
4-Iminohexan-3-ol
CID 72595089

Frequently Asked Questions

What is the IUPAC name of 4-iminohexan-2-ol?
The IUPAC name of 4-iminohexan-2-ol (CID 142041355) is 4-iminohexan-2-ol.
What is the SMILES notation for 4-iminohexan-2-ol?
The canonical SMILES for 4-iminohexan-2-ol is [H]/N=C(\CC)CC(C)O.
What is the InChIKey of 4-iminohexan-2-ol?
The InChIKey is BHTQEJFNGYKLNO-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(7)4-5(2)8/h5,7-8H,3-4H2,1-2H3/b7-6+.
What are the key properties of 4-iminohexan-2-ol?
4-iminohexan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminohexan-2-ol is sourced from PubChem (CID 142041355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).