3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide

C9H19N3O — CID 77028692

IUPAC3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
SMILESCC(CC1CC1)NCCC(N)=NO
InChIInChI=1S/C9H19N3O/c1-7(6-8-2-3-8)11-5-4-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyHGWJBLDHAJQOQZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.90
Rot. Bonds6

About 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide

3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide (PubChem CID 77028692) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
PubChem CID77028692
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
SMILESCC(CC1CC1)NCCC(N)=NO
InChIInChI=1S/C9H19N3O/c1-7(6-8-2-3-8)11-5-4-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyHGWJBLDHAJQOQZ-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': '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

N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
CID 77029951
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
CID 79400718
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
CID 81392075
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide (CID 77028692) is 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide is CC(CC1CC1)NCCC(N)=NO.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide?
The InChIKey is HGWJBLDHAJQOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-8-2-3-8)11-5-4-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide?
3-(1-cyclopropylpropan-2-ylamino)-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 3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77028692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).