2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide

C9H19N3O — CID 104876523

IUPAC2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
SMILESCC(NCCCC1CC1)C(N)=NO
InChIInChI=1S/C9H19N3O/c1-7(9(10)12-13)11-6-2-3-8-4-5-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyXATPVRDRWDIUGI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.90
Rot. Bonds6

About 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide

2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide (PubChem CID 104876523) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
PubChem CID104876523
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
SMILESCC(NCCCC1CC1)C(N)=NO
InChIInChI=1S/C9H19N3O/c1-7(9(10)12-13)11-6-2-3-8-4-5-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyXATPVRDRWDIUGI-UHFFFAOYSA-N
XLogP0.90
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 77027459
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77027010
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide (CID 104876523) is 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide is CC(NCCCC1CC1)C(N)=NO.
What is the InChIKey of 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide?
The InChIKey is XATPVRDRWDIUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)12-13)11-6-2-3-8-4-5-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide?
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 104876523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).