3-iminohexan-1-ol

C6H13NO — CID 57298949

IUPAC3-iminohexan-1-ol
SMILES[H]/N=C(\CCC)CCO
InChIInChI=1S/C6H13NO/c1-2-3-6(7)4-5-8/h7-8H,2-5H2,1H3/b7-6+
InChIKeyPACRBQKNWDUUMM-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.19
Rot. Bonds4

About 3-iminohexan-1-ol

3-iminohexan-1-ol (PubChem CID 57298949) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-iminohexan-1-ol.

Molecular Properties

Compound Name3-iminohexan-1-ol
PubChem CID57298949
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-iminohexan-1-ol
SMILES[H]/N=C(\CCC)CCO
InChIInChI=1S/C6H13NO/c1-2-3-6(7)4-5-8/h7-8H,2-5H2,1H3/b7-6+
InChIKeyPACRBQKNWDUUMM-VOTSOKGWSA-N
XLogP1.19
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

4-Iminopentanol
CID 123912692
5-Iminohexane-1,1-diol
CID 54340938
6-Iminooctan-1-ol
CID 54459280
3-Iminobutan-1-ol
CID 54468047
3-Iminopentan-1-ol
CID 57151415
3-Iminooctan-1-ol
CID 57224710
3-Iminododecan-1-ol
CID 57239624
3-Imino-2-methylhexan-1-ol
CID 57255166
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

Frequently Asked Questions

What is the IUPAC name of 3-iminohexan-1-ol?
The IUPAC name of 3-iminohexan-1-ol (CID 57298949) is 3-iminohexan-1-ol.
What is the SMILES notation for 3-iminohexan-1-ol?
The canonical SMILES for 3-iminohexan-1-ol is [H]/N=C(\CCC)CCO.
What is the InChIKey of 3-iminohexan-1-ol?
The InChIKey is PACRBQKNWDUUMM-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-6(7)4-5-8/h7-8H,2-5H2,1H3/b7-6+.
What are the key properties of 3-iminohexan-1-ol?
3-iminohexan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminohexan-1-ol is sourced from PubChem (CID 57298949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).