3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide

C12H25N5O3 — CID 118455345

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide
SMILESCCN=C=NCCCN(C)C.NC(=O)CCC(=O)NO
InChIInChI=1S/C8H17N3.C4H8N2O3/c1-4-9-8-10-6-5-7-11(2)3;5-3(7)1-2-4(8)6-9/h4-7H2,1-3H3;9H,1-2H2,(H2,5,7)(H,6,8)
InChIKeyJUPWRTHBUPJZEJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.11
Rot. Bonds8

About 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide (PubChem CID 118455345) has the molecular formula C12H25N5O3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide
PubChem CID118455345
Molecular FormulaC12H25N5O3
Molecular Weight287.36 g/mol
Exact Mass287.20
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide
SMILESCCN=C=NCCCN(C)C.NC(=O)CCC(=O)NO
InChIInChI=1S/C8H17N3.C4H8N2O3/c1-4-9-8-10-6-5-7-11(2)3;5-3(7)1-2-4(8)6-9/h4-7H2,1-3H3;9H,1-2H2,(H2,5,7)(H,6,8)
InChIKeyJUPWRTHBUPJZEJ-UHFFFAOYSA-N
XLogP-0.11
TPSA120.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171
1-[3-(dimethylamino)propyl]-3-ethylurea;N',N'-dimethylpropane-1,3-diamine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;isocyanatoethane
CID 158319706
chloroethane;N'-hydroxybutanediamide
CID 174689229

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide (CID 118455345) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide is CCN=C=NCCCN(C)C.NC(=O)CCC(=O)NO.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide?
The InChIKey is JUPWRTHBUPJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C4H8N2O3/c1-4-9-8-10-6-5-7-11(2)3;5-3(7)1-2-4(8)6-9/h4-7H2,1-3H3;9H,1-2H2,(H2,5,7)(H,6,8).
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide has a molecular weight of 287.36 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide is sourced from PubChem (CID 118455345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).