2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide

C10H20N4O — CID 111032094

IUPAC2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)NCC1CCC1
InChIInChI=1S/C10H20N4O/c1-2-12-9(15)7-14-10(11)13-6-8-4-3-5-8/h8H,2-7H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyYDSXUUFMTPJZRE-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.17
Rot. Bonds5

About 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide (PubChem CID 111032094) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
PubChem CID111032094
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)NCC1CCC1
InChIInChI=1S/C10H20N4O/c1-2-12-9(15)7-14-10(11)13-6-8-4-3-5-8/h8H,2-7H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyYDSXUUFMTPJZRE-UHFFFAOYSA-N
XLogP-0.17
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.17
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

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093905
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819698
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
CID 63176099
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812072
N-[4-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111061536
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110913403
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 120663205
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide?
The IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide (CID 111032094) is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide is CCNC(=O)C/N=C(\N)NCC1CCC1.
What is the InChIKey of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide?
The InChIKey is YDSXUUFMTPJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-12-9(15)7-14-10(11)13-6-8-4-3-5-8/h8H,2-7H2,1H3,(H,12,15)(H3,11,13,14).
What are the key properties of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide?
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide has a molecular weight of 212.30 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide is sourced from PubChem (CID 111032094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).