3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide

C9H18N4O — CID 79401114

IUPAC3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
SMILESCCN/C(N)=N/CCC(=O)NC1CC1
InChIInChI=1S/C9H18N4O/c1-2-11-9(10)12-6-5-8(14)13-7-3-4-7/h7H,2-6H2,1H3,(H,13,14)(H3,10,11,12)
InChIKeyKVDJQOHKHJUITO-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.42
Rot. Bonds5

About 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide

3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide (PubChem CID 79401114) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
PubChem CID79401114
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
SMILESCCN/C(N)=N/CCC(=O)NC1CC1
InChIInChI=1S/C9H18N4O/c1-2-11-9(10)12-6-5-8(14)13-7-3-4-7/h7H,2-6H2,1H3,(H,13,14)(H3,10,11,12)
InChIKeyKVDJQOHKHJUITO-UHFFFAOYSA-N
XLogP-0.42
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.42
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

3-[[amino(ethylamino)methylidene]amino]propanamide
CID 62361753
3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
CID 134484614
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
CID 136925442
4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
CID 62363981
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopentyl-3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]propanamide;hydroiodide
CID 111530760

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide (CID 79401114) is 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide is CCN/C(N)=N/CCC(=O)NC1CC1.
What is the InChIKey of 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide?
The InChIKey is KVDJQOHKHJUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-11-9(10)12-6-5-8(14)13-7-3-4-7/h7H,2-6H2,1H3,(H,13,14)(H3,10,11,12).
What are the key properties of 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide?
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide has a molecular weight of 198.27 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79401114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).