2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride

C9H19ClN2O2 — CID 118342954

IUPAC2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride
SMILESCl.NNCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H18N2O2.ClH/c10-11-6-8-3-1-7(2-4-8)5-9(12)13;/h7-8,11H,1-6,10H2,(H,12,13);1H
InChIKeyKTAQUUDYRNXYHM-UHFFFAOYSA-N
MW222.72 g/mol
LogP1.15
Rot. Bonds4

About 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride

2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride (PubChem CID 118342954) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride
PubChem CID118342954
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride
SMILESCl.NNCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H18N2O2.ClH/c10-11-6-8-3-1-7(2-4-8)5-9(12)13;/h7-8,11H,1-6,10H2,(H,12,13);1H
InChIKeyKTAQUUDYRNXYHM-UHFFFAOYSA-N
XLogP1.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydrazinylmethyl)cyclohexane-1-carboxamide
CID 123819630
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
cyclobutylmethylhydrazine;dihydrochloride
CID 56604638
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
2-[4-(2,3-dioxopropanoyloxymethyl)cyclohexyl]acetic acid
CID 89333885
4-cyclopropyl-3-oxobutanoic acid
CID 90972731
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid
CID 68662508
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-[4-(cyanomethyl)cyclohexyl]acetic acid
CID 10749914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride (CID 118342954) is 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride is Cl.NNCC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride?
The InChIKey is KTAQUUDYRNXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c10-11-6-8-3-1-7(2-4-8)5-9(12)13;/h7-8,11H,1-6,10H2,(H,12,13);1H.
What are the key properties of 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride?
2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride is sourced from PubChem (CID 118342954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).