4-butylcyclohexane-1-carbohydrazide

C11H22N2O — CID 2063620

IUPAC4-butylcyclohexane-1-carbohydrazide
SMILESCCCCC1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-9-5-7-10(8-6-9)11(14)13-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyGBKDCKUFKOVLBI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.97
Rot. Bonds4

About 4-butylcyclohexane-1-carbohydrazide

4-butylcyclohexane-1-carbohydrazide (PubChem CID 2063620) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-butylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-butylcyclohexane-1-carbohydrazide
PubChem CID2063620
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-butylcyclohexane-1-carbohydrazide
SMILESCCCCC1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-9-5-7-10(8-6-9)11(14)13-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyGBKDCKUFKOVLBI-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065

Frequently Asked Questions

What is the IUPAC name of 4-butylcyclohexane-1-carbohydrazide?
The IUPAC name of 4-butylcyclohexane-1-carbohydrazide (CID 2063620) is 4-butylcyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-butylcyclohexane-1-carbohydrazide?
The canonical SMILES for 4-butylcyclohexane-1-carbohydrazide is CCCCC1CCC(C(=O)NN)CC1.
What is the InChIKey of 4-butylcyclohexane-1-carbohydrazide?
The InChIKey is GBKDCKUFKOVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-9-5-7-10(8-6-9)11(14)13-12/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-butylcyclohexane-1-carbohydrazide?
4-butylcyclohexane-1-carbohydrazide has a molecular weight of 198.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 2063620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).