4-iminohexan-3-ol

C6H13NO — CID 72595089

IUPAC4-iminohexan-3-ol
SMILES[H]/N=C(\CC)C(O)CC
InChIInChI=1S/C6H13NO/c1-3-5(7)6(8)4-2/h6-8H,3-4H2,1-2H3/b7-5+
InChIKeyYJCVTCQPTXIPFB-FNORWQNLSA-N
MW115.18 g/mol
LogP1.19
Rot. Bonds3

About 4-iminohexan-3-ol

4-iminohexan-3-ol (PubChem CID 72595089) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-iminohexan-3-ol.

Molecular Properties

Compound Name4-iminohexan-3-ol
PubChem CID72595089
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-iminohexan-3-ol
SMILES[H]/N=C(\CC)C(O)CC
InChIInChI=1S/C6H13NO/c1-3-5(7)6(8)4-2/h6-8H,3-4H2,1-2H3/b7-5+
InChIKeyYJCVTCQPTXIPFB-FNORWQNLSA-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
1-Fluoro-3-iminobutan-2-ol
CID 88890969
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
3-Iminobutan-1-ol
CID 54468047
3-Iminopentan-1-ol
CID 57151415
3-Iminohexan-1-ol
CID 57298949
3-Iminobutan-2-ol
CID 57634791
6-Hydroxyhexan-2-ylideneazanium
CID 59112895
5-Iminohexan-1-ol
CID 59112896
[(4R)-4-hydroxyhexan-3-ylidene]azanium
CID 59915605
4-Hydroxyiminohexan-3-ol
CID 73885656

Frequently Asked Questions

What is the IUPAC name of 4-iminohexan-3-ol?
The IUPAC name of 4-iminohexan-3-ol (CID 72595089) is 4-iminohexan-3-ol.
What is the SMILES notation for 4-iminohexan-3-ol?
The canonical SMILES for 4-iminohexan-3-ol is [H]/N=C(\CC)C(O)CC.
What is the InChIKey of 4-iminohexan-3-ol?
The InChIKey is YJCVTCQPTXIPFB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5(7)6(8)4-2/h6-8H,3-4H2,1-2H3/b7-5+.
What are the key properties of 4-iminohexan-3-ol?
4-iminohexan-3-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-3-ol is sourced from PubChem (CID 72595089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).