3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide

C9H20N4O2 — CID 77032361

IUPAC3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)C(N)=NO
InChIInChI=1S/C9H20N4O2/c1-3-5-12-8(14)4-6-11-7(2)9(10)13-15/h7,11,15H,3-6H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyZFHJCNQOBOIXMZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.37
Rot. Bonds7

About 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide

3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide (PubChem CID 77032361) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
PubChem CID77032361
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)C(N)=NO
InChIInChI=1S/C9H20N4O2/c1-3-5-12-8(14)4-6-11-7(2)9(10)13-15/h7,11,15H,3-6H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyZFHJCNQOBOIXMZ-UHFFFAOYSA-N
XLogP-0.37
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(1-amino-1-hydroxyiminobutan-2-yl)amino]-N-propylpropanamide
CID 77032208
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide
CID 63177823
3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
CID 102869439
(4R)-4-amino-N-propylpentanamide
CID 146234117
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
CID 77069097
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide (CID 77032361) is 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNC(C)C(N)=NO.
What is the InChIKey of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide?
The InChIKey is ZFHJCNQOBOIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-3-5-12-8(14)4-6-11-7(2)9(10)13-15/h7,11,15H,3-6H2,1-2H3,(H2,10,13)(H,12,14).
What are the key properties of 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide?
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 77032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).