3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide

C11H25IN4O — CID 110919216

IUPAC3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CCC(=O)NC(C)C.I
InChIInChI=1S/C11H24N4O.HI/c1-5-9(4)15-11(12)13-7-6-10(16)14-8(2)3;/h8-9H,5-7H2,1-4H3,(H,14,16)(H3,12,13,15);1H
InChIKeyXCEQTTBKABMEMQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.22
Rot. Bonds6

About 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide

3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide (PubChem CID 110919216) has the molecular formula C11H25IN4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
PubChem CID110919216
Molecular FormulaC11H25IN4O
Molecular Weight356.25 g/mol
Exact Mass356.11
IUPAC Name3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CCC(=O)NC(C)C.I
InChIInChI=1S/C11H24N4O.HI/c1-5-9(4)15-11(12)13-7-6-10(16)14-8(2)3;/h8-9H,5-7H2,1-4H3,(H,14,16)(H3,12,13,15);1H
InChIKeyXCEQTTBKABMEMQ-UHFFFAOYSA-N
XLogP1.22
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.22
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

3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111043478
1-butan-2-yl-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110920553
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
ethyl 4-[[N'-[3-(butan-2-ylamino)-3-oxopropyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111073366
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
CID 115612309
3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043505
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
3-[[N'-(3-methylbutyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043459
1-butan-2-yl-2-(2-tert-butylsulfonylethyl)guanidine;hydroiodide
CID 111123497
1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110029355

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide (CID 110919216) is 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide is CCC(C)N/C(N)=N/CCC(=O)NC(C)C.I.
What is the InChIKey of 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
The InChIKey is XCEQTTBKABMEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-5-9(4)15-11(12)13-7-6-10(16)14-8(2)3;/h8-9H,5-7H2,1-4H3,(H,14,16)(H3,12,13,15);1H.
What are the key properties of 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide is sourced from PubChem (CID 110919216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).