4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide

C10H21N3O — CID 104876518

IUPAC4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNCCCC1CC1)=NO
InChIInChI=1S/C10H21N3O/c11-10(13-14)4-2-8-12-7-1-3-9-5-6-9/h9,12,14H,1-8H2,(H2,11,13)
InChIKeyGLSKYZMITWGCQC-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.29
Rot. Bonds8

About 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide

4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide (PubChem CID 104876518) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
PubChem CID104876518
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNCCCC1CC1)=NO
InChIInChI=1S/C10H21N3O/c11-10(13-14)4-2-8-12-7-1-3-9-5-6-9/h9,12,14H,1-8H2,(H2,11,13)
InChIKeyGLSKYZMITWGCQC-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.29
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)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369928
2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370215
2-[(1-cyclopropylpropan-2-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113807995
3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide
CID 114111131
cyclopropane;N'-hydroxypiperidine-4-carboximidamide
CID 174606581
5-[cyclopropylmethyl(propyl)amino]-N'-hydroxypentanimidamide
CID 61524288
5-[cyclopropylmethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 61524451
5-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 76996400
N'-hydroxy-4-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
CID 77008827
N'-hydroxy-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanimidamide
CID 77008829
N'-hydroxy-2-methyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanimidamide
CID 77008836
N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanimidamide
CID 77008839

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide (CID 104876518) is 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide is NC(CCCNCCCC1CC1)=NO.
What is the InChIKey of 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide?
The InChIKey is GLSKYZMITWGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-10(13-14)4-2-8-12-7-1-3-9-5-6-9/h9,12,14H,1-8H2,(H2,11,13).
What are the key properties of 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide?
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104876518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).