3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide

C10H21N3O — CID 77028693

IUPAC3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CC1CC1)NCC(C)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-7(10(11)13-14)6-12-8(2)5-9-3-4-9/h7-9,12,14H,3-6H2,1-2H3,(H2,11,13)
InChIKeyXUOFWSXGJSRSJI-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.15
Rot. Bonds6

About 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide

3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77028693) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID77028693
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CC1CC1)NCC(C)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-7(10(11)13-14)6-12-8(2)5-9-3-4-9/h7-9,12,14H,3-6H2,1-2H3,(H2,11,13)
InChIKeyXUOFWSXGJSRSJI-UHFFFAOYSA-N
XLogP1.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.15
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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Related Compounds

3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
CID 77028692
3-(cyclopropylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77052471
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
1-cyclopropyl-N-(2,2-dicyclopropylethyl)propan-2-amine
CID 115724974
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
1-cyclopropyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63989699
3-(but-3-yn-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104921681
4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol
CID 115725095
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
1-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717048

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide (CID 77028693) is 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CC1CC1)NCC(C)C(N)=NO.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is XUOFWSXGJSRSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(10(11)13-14)6-12-8(2)5-9-3-4-9/h7-9,12,14H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77028693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).