2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide

C10H21IN4O — CID 110913876

IUPAC2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
SMILESCC(C)(C)NC(=O)C/N=C(\N)NC1CC1.I
InChIInChI=1S/C10H20N4O.HI/c1-10(2,3)14-8(15)6-12-9(11)13-7-4-5-7;/h7H,4-6H2,1-3H3,(H,14,15)(H3,11,12,13);1H
InChIKeyNVUGMKPLMARWJX-UHFFFAOYSA-N
MW340.21 g/mol
LogP0.59
Rot. Bonds3

About 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide

2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide (PubChem CID 110913876) has the molecular formula C10H21IN4O and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
PubChem CID110913876
Molecular FormulaC10H21IN4O
Molecular Weight340.21 g/mol
Exact Mass340.08
IUPAC Name2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
SMILESCC(C)(C)NC(=O)C/N=C(\N)NC1CC1.I
InChIInChI=1S/C10H20N4O.HI/c1-10(2,3)14-8(15)6-12-9(11)13-7-4-5-7;/h7H,4-6H2,1-3H3,(H,14,15)(H3,11,12,13);1H
InChIKeyNVUGMKPLMARWJX-UHFFFAOYSA-N
XLogP0.59
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 50.59
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111189663
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
CID 113293325
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034564
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N-tert-butyl-2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]acetamide
CID 111528369
2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
CID 63175546
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide (CID 110913876) is 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide is CC(C)(C)NC(=O)C/N=C(\N)NC1CC1.I.
What is the InChIKey of 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
The InChIKey is NVUGMKPLMARWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.HI/c1-10(2,3)14-8(15)6-12-9(11)13-7-4-5-7;/h7H,4-6H2,1-3H3,(H,14,15)(H3,11,12,13);1H.
What are the key properties of 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide has a molecular weight of 340.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide is sourced from PubChem (CID 110913876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).