3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide

C10H19N3O2 — CID 61443811

IUPAC3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
SMILESCCCCN(C(=O)CC(N)=NO)C1CC1
InChIInChI=1S/C10H19N3O2/c1-2-3-6-13(8-4-5-8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyNTRQHQXQGYSANW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.91
Rot. Bonds6

About 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide

3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide (PubChem CID 61443811) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
PubChem CID61443811
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
SMILESCCCCN(C(=O)CC(N)=NO)C1CC1
InChIInChI=1S/C10H19N3O2/c1-2-3-6-13(8-4-5-8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyNTRQHQXQGYSANW-UHFFFAOYSA-N
XLogP0.91
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
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

(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
CID 43155922
(3Z)-3-amino-N-butyl-3-hydroxyimino-N-methylpropanamide
CID 43156068
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-hydroxyiminopropanamide
CID 77046090
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
CID 43333100
1-butyl-1,3-dicyclopropylurea
CID 115579407
N-butyl-N-cyclopropyl-2-(propan-2-ylamino)acetamide
CID 60945634
N-butyl-N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597608
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
N-butyl-2-cyano-N-cyclopropylacetamide
CID 61443044
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide?
The IUPAC name of 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide (CID 61443811) is 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide is CCCCN(C(=O)CC(N)=NO)C1CC1.
What is the InChIKey of 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide?
The InChIKey is NTRQHQXQGYSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-3-6-13(8-4-5-8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide?
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide has a molecular weight of 213.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 61443811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).