N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide

C14H29N3O — CID 77023051

IUPACN'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)C1CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)10-17(8-7-14(15)16-18)13-6-4-5-12(3)9-13/h11-13,18H,4-10H2,1-3H3,(H2,15,16)
InChIKeyXLKRSGUNUQZUEY-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.66
Rot. Bonds6

About N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide

N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide (PubChem CID 77023051) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
PubChem CID77023051
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)C1CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)10-17(8-7-14(15)16-18)13-6-4-5-12(3)9-13/h11-13,18H,4-10H2,1-3H3,(H2,15,16)
InChIKeyXLKRSGUNUQZUEY-UHFFFAOYSA-N
XLogP2.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide (CID 77023051) is N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide is CC(C)CN(CCC(N)=NO)C1CCCC(C)C1.
What is the InChIKey of N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide?
The InChIKey is XLKRSGUNUQZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)10-17(8-7-14(15)16-18)13-6-4-5-12(3)9-13/h11-13,18H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 77023051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).