3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C15H31N3O — CID 77054341

IUPAC3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31N3O/c1-11(2)10-18(8-7-15(16)17-19)14-6-5-12(3)13(4)9-14/h11-14,19H,5-10H2,1-4H3,(H2,16,17)
InChIKeyYEQWUNCFVCDNQX-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.91
Rot. Bonds6

About 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77054341) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID77054341
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31N3O/c1-11(2)10-18(8-7-15(16)17-19)14-6-5-12(3)13(4)9-14/h11-14,19H,5-10H2,1-4H3,(H2,16,17)
InChIKeyYEQWUNCFVCDNQX-UHFFFAOYSA-N
XLogP2.91
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
CID 77023051
2-[(3,4-dimethylcyclohexyl)-methylamino]-N'-hydroxyethanimidamide
CID 77054342
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79902214
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
N'-hydroxy-3-[2-methoxyethyl-(3-methylcyclohexyl)amino]propanimidamide
CID 77023065
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 76917116
3-[cyclopentyl(2-methylpropyl)amino]propanamide
CID 78983793
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 77054341) is 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)C1CCC(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is YEQWUNCFVCDNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)10-18(8-7-15(16)17-19)14-6-5-12(3)13(4)9-14/h11-14,19H,5-10H2,1-4H3,(H2,16,17).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77054341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).