4-(hydrazinylmethyl)cyclohexane-1-carboxamide

C8H17N3O — CID 123819630

IUPAC4-(hydrazinylmethyl)cyclohexane-1-carboxamide
SMILESNNCC1CCC(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c9-8(12)7-3-1-6(2-4-7)5-11-10/h6-7,11H,1-5,10H2,(H2,9,12)
InChIKeyJSBZZYNDCFXAGD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.26
Rot. Bonds3

About 4-(hydrazinylmethyl)cyclohexane-1-carboxamide

4-(hydrazinylmethyl)cyclohexane-1-carboxamide (PubChem CID 123819630) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(hydrazinylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydrazinylmethyl)cyclohexane-1-carboxamide
PubChem CID123819630
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(hydrazinylmethyl)cyclohexane-1-carboxamide
SMILESNNCC1CCC(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c9-8(12)7-3-1-6(2-4-7)5-11-10/h6-7,11H,1-5,10H2,(H2,9,12)
InChIKeyJSBZZYNDCFXAGD-UHFFFAOYSA-N
XLogP-0.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.26
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

cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528
4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide
CID 115892601
2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride
CID 118342954
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
4-(2-oxoethyl)cyclohexane-1-carboxamide
CID 87477686
cyclopropanecarboxamide;propanamide
CID 174752815
4-aminocyclohexane-1-carboxamide;dihydrochloride
CID 89303150
4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
CID 62386039
4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide
CID 101049926
cyclopropanecarboxamide;formic acid
CID 161444896
cyclobutylmethylhydrazine;dihydrochloride
CID 56604638

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydrazinylmethyl)cyclohexane-1-carboxamide (CID 123819630) is 4-(hydrazinylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydrazinylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydrazinylmethyl)cyclohexane-1-carboxamide is NNCC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(hydrazinylmethyl)cyclohexane-1-carboxamide?
The InChIKey is JSBZZYNDCFXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(12)7-3-1-6(2-4-7)5-11-10/h6-7,11H,1-5,10H2,(H2,9,12).
What are the key properties of 4-(hydrazinylmethyl)cyclohexane-1-carboxamide?
4-(hydrazinylmethyl)cyclohexane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 123819630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).