2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide

C10H18N4O — CID 110031910

IUPAC2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C10H18N4O/c1-3-6-12-9(15)7-13-10(11)14(2)8-4-5-8/h3,8H,1,4-7H2,2H3,(H2,11,13)(H,12,15)
InChIKeyRCAWXMFHVXNECW-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.30
Rot. Bonds5

About 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide

2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide (PubChem CID 110031910) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide
PubChem CID110031910
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C10H18N4O/c1-3-6-12-9(15)7-13-10(11)14(2)8-4-5-8/h3,8H,1,4-7H2,2H3,(H2,11,13)(H,12,15)
InChIKeyRCAWXMFHVXNECW-UHFFFAOYSA-N
XLogP-0.30
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
CID 110030235
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
CID 110031724
1-cyclopropyl-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)guanidine;hydroiodide
CID 110031903
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
CID 110031718
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
CID 110030596
4-(diaminomethylideneamino)-N-prop-2-enylbutanamide;hydrochloride
CID 44522987
2-[[(cyclopentylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110991974
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide (CID 110031910) is 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide is C=CCNC(=O)C/N=C(\N)N(C)C1CC1.
What is the InChIKey of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide?
The InChIKey is RCAWXMFHVXNECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-6-12-9(15)7-13-10(11)14(2)8-4-5-8/h3,8H,1,4-7H2,2H3,(H2,11,13)(H,12,15).
What are the key properties of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide?
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide has a molecular weight of 210.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 110031910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).