N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane

C9H21N3O — CID 142936000

IUPACN-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane
SMILESCC.CC(C)C(=O)N/N=C/CCN
InChIInChI=1S/C7H15N3O.C2H6/c1-6(2)7(11)10-9-5-3-4-8;1-2/h5-6H,3-4,8H2,1-2H3,(H,10,11);1-2H3/b9-5+;
InChIKeyUXXUQIYIYRRKJP-SZKNIZGXSA-N
MW187.29 g/mol
LogP1.12
Rot. Bonds4

About N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane

N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane (PubChem CID 142936000) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane.

Molecular Properties

Compound NameN-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane
PubChem CID142936000
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane
SMILESCC.CC(C)C(=O)N/N=C/CCN
InChIInChI=1S/C7H15N3O.C2H6/c1-6(2)7(11)10-9-5-3-4-8;1-2/h5-6H,3-4,8H2,1-2H3,(H,10,11);1-2H3/b9-5+;
InChIKeyUXXUQIYIYRRKJP-SZKNIZGXSA-N
XLogP1.12
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane
CID 142935970
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
CID 58684890
(2S)-2-[(2S)-1-oxo-1-[(2E)-2-undec-10-enylidenehydrazinyl]propan-2-yl]sulfanyl-N-[(E)-undec-10-enylideneamino]propanamide
CID 93488701
N-ethoxy-2-methylpropanamide
CID 60717901
N-(aminomethyl)-2-methylpropanamide
CID 88582106
1,3-bis(3-methylbutylideneamino)urea
CID 76727795
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-[(Z)-butylideneamino]acetamide
CID 6015140
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
methyl N-[(E)-2-aminoethylideneamino]carbamate
CID 58684381

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane?
The IUPAC name of N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane (CID 142936000) is N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane.
What is the SMILES notation for N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane?
The canonical SMILES for N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane is CC.CC(C)C(=O)N/N=C/CCN.
What is the InChIKey of N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane?
The InChIKey is UXXUQIYIYRRKJP-SZKNIZGXSA-N. The full InChI is InChI=1S/C7H15N3O.C2H6/c1-6(2)7(11)10-9-5-3-4-8;1-2/h5-6H,3-4,8H2,1-2H3,(H,10,11);1-2H3/b9-5+;.
What are the key properties of N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane?
N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane has a molecular weight of 187.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminopropylideneamino]-2-methylpropanamide;ethane is sourced from PubChem (CID 142936000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).