3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide

C10H20N4O2 — CID 76979808

IUPAC3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NCCN(C)C1CC1)C(N)=NO
InChIInChI=1S/C10H20N4O2/c1-7(9(11)13-16)10(15)12-5-6-14(2)8-3-4-8/h7-8,16H,3-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyHYFVXJDXSNPQAX-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide (PubChem CID 76979808) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
PubChem CID76979808
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NCCN(C)C1CC1)C(N)=NO
InChIInChI=1S/C10H20N4O2/c1-7(9(11)13-16)10(15)12-5-6-14(2)8-3-4-8/h7-8,16H,3-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyHYFVXJDXSNPQAX-UHFFFAOYSA-N
XLogP-0.42
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
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

2-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbutanamide
CID 55139681
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80596682
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide (CID 76979808) is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NCCN(C)C1CC1)C(N)=NO.
What is the InChIKey of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
The InChIKey is HYFVXJDXSNPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7(9(11)13-16)10(15)12-5-6-14(2)8-3-4-8/h7-8,16H,3-6H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide has a molecular weight of 228.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76979808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).