4-(2,4-diiminocyclopentyl)butan-2-ol

C9H16N2O — CID 91329811

IUPAC4-(2,4-diiminocyclopentyl)butan-2-ol
SMILES[H]/N=C1\C/C(=N\[H])C(CCC(C)O)C1
InChIInChI=1S/C9H16N2O/c1-6(12)2-3-7-4-8(10)5-9(7)11/h6-7,10-12H,2-5H2,1H3/b10-8-,11-9+
InChIKeyXFWGVJCQYQJRLZ-PNQPDEHRSA-N
MW168.24 g/mol
LogP1.60
Rot. Bonds3

About 4-(2,4-diiminocyclopentyl)butan-2-ol

4-(2,4-diiminocyclopentyl)butan-2-ol (PubChem CID 91329811) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2,4-diiminocyclopentyl)butan-2-ol.

Molecular Properties

Compound Name4-(2,4-diiminocyclopentyl)butan-2-ol
PubChem CID91329811
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(2,4-diiminocyclopentyl)butan-2-ol
SMILES[H]/N=C1\C/C(=N\[H])C(CCC(C)O)C1
InChIInChI=1S/C9H16N2O/c1-6(12)2-3-7-4-8(10)5-9(7)11/h6-7,10-12H,2-5H2,1H3/b10-8-,11-9+
InChIKeyXFWGVJCQYQJRLZ-PNQPDEHRSA-N
XLogP1.60
TPSA67.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 123707641
cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 162591745
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
2-Ethyl-5-iminohexan-1-ol
CID 91428733
(3S)-2-imino-5-methylheptan-3-ol
CID 117730106
2-(2-Ethylbutanimidoyl)cyclopentan-1-ol
CID 123477245
3-Imino-2-methylcyclopentan-1-ol
CID 123864091
6-Imino-4-methylcyclononan-1-ol
CID 123869279

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diiminocyclopentyl)butan-2-ol?
The IUPAC name of 4-(2,4-diiminocyclopentyl)butan-2-ol (CID 91329811) is 4-(2,4-diiminocyclopentyl)butan-2-ol.
What is the SMILES notation for 4-(2,4-diiminocyclopentyl)butan-2-ol?
The canonical SMILES for 4-(2,4-diiminocyclopentyl)butan-2-ol is [H]/N=C1\C/C(=N\[H])C(CCC(C)O)C1.
What is the InChIKey of 4-(2,4-diiminocyclopentyl)butan-2-ol?
The InChIKey is XFWGVJCQYQJRLZ-PNQPDEHRSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(12)2-3-7-4-8(10)5-9(7)11/h6-7,10-12H,2-5H2,1H3/b10-8-,11-9+.
What are the key properties of 4-(2,4-diiminocyclopentyl)butan-2-ol?
4-(2,4-diiminocyclopentyl)butan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diiminocyclopentyl)butan-2-ol is sourced from PubChem (CID 91329811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).