2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide

C9H20N4O — CID 62364023

IUPAC2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(\N)NC(C)C
InChIInChI=1S/C9H20N4O/c1-5-11-8(14)7(4)13-9(10)12-6(2)3/h6-7H,5H2,1-4H3,(H,11,14)(H3,10,12,13)
InChIKeyBERZPXCGAAPTOS-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.18
Rot. Bonds4

About 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide

2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide (PubChem CID 62364023) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
PubChem CID62364023
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(\N)NC(C)C
InChIInChI=1S/C9H20N4O/c1-5-11-8(14)7(4)13-9(10)12-6(2)3/h6-7H,5H2,1-4H3,(H,11,14)(H3,10,12,13)
InChIKeyBERZPXCGAAPTOS-UHFFFAOYSA-N
XLogP-0.18
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[amino-(propan-2-ylamino)methylidene]amino]propanoate
CID 62362250
N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62360115
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
1-propan-2-yl-2-(1-sulfanylpropyl)guanidine
CID 21150356
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
CID 62361572
N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
2-(1-aminobutylideneamino)-N-propylpropanamide
CID 63177784
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
2-(ethylcarbamoylamino)propanamide
CID 115582785
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide (CID 62364023) is 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide is CCNC(=O)C(C)/N=C(\N)NC(C)C.
What is the InChIKey of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide?
The InChIKey is BERZPXCGAAPTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-5-11-8(14)7(4)13-9(10)12-6(2)3/h6-7H,5H2,1-4H3,(H,11,14)(H3,10,12,13).
What are the key properties of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide?
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide has a molecular weight of 200.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide is sourced from PubChem (CID 62364023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).