2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide

C10H19IN4O — CID 111093384

IUPAC2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
SMILESC#CCNC(=O)C/N=C(\N)NCC(C)C.I
InChIInChI=1S/C10H18N4O.HI/c1-4-5-12-9(15)7-14-10(11)13-6-8(2)3;/h1,8H,5-7H2,2-3H3,(H,12,15)(H3,11,13,14);1H
InChIKeySOYVWQDMNSXCOC-UHFFFAOYSA-N
MW338.19 g/mol
LogP-0.09
Rot. Bonds5

About 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide

2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide (PubChem CID 111093384) has the molecular formula C10H19IN4O and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
PubChem CID111093384
Molecular FormulaC10H19IN4O
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
SMILESC#CCNC(=O)C/N=C(\N)NCC(C)C.I
InChIInChI=1S/C10H18N4O.HI/c1-4-5-12-9(15)7-14-10(11)13-6-8(2)3;/h1,8H,5-7H2,2-3H3,(H,12,15)(H3,11,13,14);1H
InChIKeySOYVWQDMNSXCOC-UHFFFAOYSA-N
XLogP-0.09
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 5-0.09
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide
CID 115612389
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide
CID 111093408
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide
CID 111093213
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032129
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
CID 110930318
2-amino-N-prop-2-ynylacetamide;hydrochloride
CID 47002635

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide (CID 111093384) is 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide is C#CCNC(=O)C/N=C(\N)NCC(C)C.I.
What is the InChIKey of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide?
The InChIKey is SOYVWQDMNSXCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.HI/c1-4-5-12-9(15)7-14-10(11)13-6-8(2)3;/h1,8H,5-7H2,2-3H3,(H,12,15)(H3,11,13,14);1H.
What are the key properties of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide?
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide has a molecular weight of 338.19 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide is sourced from PubChem (CID 111093384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).