(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide

C11H24N4O2 — CID 55009764

IUPAC(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C/C(N)=N/O
InChIInChI=1S/C11H24N4O2/c1-9(2)8-15(6-5-14(3)4)11(16)7-10(12)13-17/h9,17H,5-8H2,1-4H3,(H2,12,13)
InChIKeyDDDZYJQJZJBVPE-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.17
Rot. Bonds7

About (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide

(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide (PubChem CID 55009764) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
PubChem CID55009764
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C/C(N)=N/O
InChIInChI=1S/C11H24N4O2/c1-9(2)8-15(6-5-14(3)4)11(16)7-10(12)13-17/h9,17H,5-8H2,1-4H3,(H2,12,13)
InChIKeyDDDZYJQJZJBVPE-UHFFFAOYSA-N
XLogP0.17
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
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-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
CID 79203472
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 76917326
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 77015110
(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
CID 43155922
3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
CID 104861865
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287495
1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
CID 82404869
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide?
The IUPAC name of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide (CID 55009764) is (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide?
The canonical SMILES for (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide is CC(C)CN(CCN(C)C)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide?
The InChIKey is DDDZYJQJZJBVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-9(2)8-15(6-5-14(3)4)11(16)7-10(12)13-17/h9,17H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide?
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide has a molecular weight of 244.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55009764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).