2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide

C13H27N3O — CID 77027415

IUPAC2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide
SMILESCCC(NC(CC)C1CCCCC1)C(N)=NO
InChIInChI=1S/C13H27N3O/c1-3-11(10-8-6-5-7-9-10)15-12(4-2)13(14)16-17/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)
InChIKeyDPTBOCXDTVGHJG-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.46
Rot. Bonds6

About 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide

2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide (PubChem CID 77027415) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide
PubChem CID77027415
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide
SMILESCCC(NC(CC)C1CCCCC1)C(N)=NO
InChIInChI=1S/C13H27N3O/c1-3-11(10-8-6-5-7-9-10)15-12(4-2)13(14)16-17/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)
InChIKeyDPTBOCXDTVGHJG-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
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 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide (CID 77027415) is 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide is CCC(NC(CC)C1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide?
The InChIKey is DPTBOCXDTVGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-11(10-8-6-5-7-9-10)15-12(4-2)13(14)16-17/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide?
2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77027415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).