3-(4-iminocyclohexyl)butan-1-ol

C10H19NO — CID 163654556

IUPAC3-(4-iminocyclohexyl)butan-1-ol
SMILES[H]N=C1CCC(C(C)CCO)CC1
InChIInChI=1S/C10H19NO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h8-9,11-12H,2-7H2,1H3/b11-10-
InChIKeyIPBABWMLZVEUED-KHPPLWFESA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds3

About 3-(4-iminocyclohexyl)butan-1-ol

3-(4-iminocyclohexyl)butan-1-ol (PubChem CID 163654556) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(4-iminocyclohexyl)butan-1-ol.

Molecular Properties

Compound Name3-(4-iminocyclohexyl)butan-1-ol
PubChem CID163654556
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(4-iminocyclohexyl)butan-1-ol
SMILES[H]N=C1CCC(C(C)CCO)CC1
InChIInChI=1S/C10H19NO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h8-9,11-12H,2-7H2,1H3/b11-10-
InChIKeyIPBABWMLZVEUED-KHPPLWFESA-N
XLogP2.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
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

7-Imino-2-methyloctan-1-ol
CID 58165084
2-Ethyl-1-(2-iminocyclohexyl)propane-1,3-diol
CID 67812818
1-(2-Iminocyclohexyl)butan-1-ol
CID 67882696
7-Imino-5,5,9-trimethyldecan-4-ol
CID 88440115
5-Imino-8-methylnonan-2-ol
CID 88443865
[3-(2-Iminopropyl)cyclohexyl]methanol
CID 90969056
(6-Imino-8-methylspiro[3.5]nonan-9-yl)methanol
CID 91050936
2-Cyclohexyl-3-iminobutan-1-ol
CID 91223413
2-Ethyl-5-iminohexan-1-ol
CID 91428733
4-Ethanimidoylcyclohexan-1-ol
CID 123807945
6-Imino-4-methylcyclononan-1-ol
CID 123869279
4-Imino-2,3,5-trimethylhexan-1-ol
CID 134382165

Frequently Asked Questions

What is the IUPAC name of 3-(4-iminocyclohexyl)butan-1-ol?
The IUPAC name of 3-(4-iminocyclohexyl)butan-1-ol (CID 163654556) is 3-(4-iminocyclohexyl)butan-1-ol.
What is the SMILES notation for 3-(4-iminocyclohexyl)butan-1-ol?
The canonical SMILES for 3-(4-iminocyclohexyl)butan-1-ol is [H]N=C1CCC(C(C)CCO)CC1.
What is the InChIKey of 3-(4-iminocyclohexyl)butan-1-ol?
The InChIKey is IPBABWMLZVEUED-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h8-9,11-12H,2-7H2,1H3/b11-10-.
What are the key properties of 3-(4-iminocyclohexyl)butan-1-ol?
3-(4-iminocyclohexyl)butan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iminocyclohexyl)butan-1-ol is sourced from PubChem (CID 163654556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).