3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide

C10H21IN4O — CID 110030278

IUPAC3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
SMILESCN(C)C(=O)CC/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C10H20N4O.HI/c1-13(2)9(15)6-7-12-10(11)14(3)8-4-5-8;/h8H,4-7H2,1-3H3,(H2,11,12);1H
InChIKeyUBGUAVHWERNLEZ-UHFFFAOYSA-N
MW340.21 g/mol
LogP0.49
Rot. Bonds4

About 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide

3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide (PubChem CID 110030278) has the molecular formula C10H21IN4O and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
PubChem CID110030278
Molecular FormulaC10H21IN4O
Molecular Weight340.21 g/mol
Exact Mass340.08
IUPAC Name3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
SMILESCN(C)C(=O)CC/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C10H20N4O.HI/c1-13(2)9(15)6-7-12-10(11)14(3)8-4-5-8;/h8H,4-7H2,1-3H3,(H2,11,12);1H
InChIKeyUBGUAVHWERNLEZ-UHFFFAOYSA-N
XLogP0.49
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
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

1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
CID 110030303
4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
CID 110030235
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110030806
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110030763
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
CID 110031718
1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine
CID 110031930
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
1-[3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110030884
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110030671

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide (CID 110030278) is 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide is CN(C)C(=O)CC/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
The InChIKey is UBGUAVHWERNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.HI/c1-13(2)9(15)6-7-12-10(11)14(3)8-4-5-8;/h8H,4-7H2,1-3H3,(H2,11,12);1H.
What are the key properties of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide has a molecular weight of 340.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 110030278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).