4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide

C11H22N4O — CID 62363982

IUPAC4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
SMILESCC(C)N/C(N)=N/C1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N4O/c1-7(2)14-11(13)15-9-5-3-8(4-6-9)10(12)16/h7-9H,3-6H2,1-2H3,(H2,12,16)(H3,13,14,15)
InChIKeyZWZMJXJLVSDVLK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds3

About 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide

4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide (PubChem CID 62363982) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
PubChem CID62363982
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
SMILESCC(C)N/C(N)=N/C1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N4O/c1-7(2)14-11(13)15-9-5-3-8(4-6-9)10(12)16/h7-9H,3-6H2,1-2H3,(H2,12,16)(H3,13,14,15)
InChIKeyZWZMJXJLVSDVLK-UHFFFAOYSA-N
XLogP0.34
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
CID 62364594
2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine
CID 130637018
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
CID 103111147
2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine
CID 131181910
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
CID 63837649
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine
CID 126559950
4-(1-cyclopentylethylamino)cyclohexane-1-carboxamide
CID 62631571
1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
CID 62362251
2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
CID 62362254

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide (CID 62363982) is 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide is CC(C)N/C(N)=N/C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide?
The InChIKey is ZWZMJXJLVSDVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-7(2)14-11(13)15-9-5-3-8(4-6-9)10(12)16/h7-9H,3-6H2,1-2H3,(H2,12,16)(H3,13,14,15).
What are the key properties of 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide?
4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 62363982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).