3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide

C11H25IN4O — CID 111043505

IUPAC3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
SMILESCC(C)NC(=O)CCN=C(N(C)C)N(C)C.I
InChIInChI=1S/C11H24N4O.HI/c1-9(2)13-10(16)7-8-12-11(14(3)4)15(5)6;/h9H,7-8H2,1-6H3,(H,13,16);1H
InChIKeyUXTDAJGKLNSIHQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.00
Rot. Bonds4

About 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide

3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide (PubChem CID 111043505) has the molecular formula C11H25IN4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
PubChem CID111043505
Molecular FormulaC11H25IN4O
Molecular Weight356.25 g/mol
Exact Mass356.11
IUPAC Name3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
SMILESCC(C)NC(=O)CCN=C(N(C)C)N(C)C.I
InChIInChI=1S/C11H24N4O.HI/c1-9(2)13-10(16)7-8-12-11(14(3)4)15(5)6;/h9H,7-8H2,1-6H3,(H,13,16);1H
InChIKeyUXTDAJGKLNSIHQ-UHFFFAOYSA-N
XLogP1.00
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.00
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

N-butan-2-yl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109471442
N-butan-2-yl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109471443
N-butan-2-yl-3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109472550
N-butan-2-yl-3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109472551
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109474550
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 109474551
3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109474552
3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 109474553
N,N-diethyl-3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 112001139
2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide
CID 90245990
3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide
CID 134386605
3-[[amino-(butan-2-ylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53541625

Frequently Asked Questions

What is the IUPAC name of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?
The IUPAC name of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide (CID 111043505) is 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide.
What is the SMILES notation for 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?
The canonical SMILES for 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide is CC(C)NC(=O)CCN=C(N(C)C)N(C)C.I.
What is the InChIKey of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?
The InChIKey is UXTDAJGKLNSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-9(2)13-10(16)7-8-12-11(14(3)4)15(5)6;/h9H,7-8H2,1-6H3,(H,13,16);1H.
What are the key properties of 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide?
3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide is sourced from PubChem (CID 111043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).