3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide

C14H29IN4O — CID 110920904

IUPAC3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
SMILESCCC(C)NC(=O)CC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-4-12(3)17-13(19)5-8-16-14(15)18-9-6-11(2)7-10-18;/h11-12H,4-10H2,1-3H3,(H2,15,16)(H,17,19);1H
InChIKeyHQOBHTYCPJKUFH-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.96
Rot. Bonds5

About 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide

3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide (PubChem CID 110920904) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
PubChem CID110920904
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC Name3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
SMILESCCC(C)NC(=O)CC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-4-12(3)17-13(19)5-8-16-14(15)18-9-6-11(2)7-10-18;/h11-12H,4-10H2,1-3H3,(H2,15,16)(H,17,19);1H
InChIKeyHQOBHTYCPJKUFH-UHFFFAOYSA-N
XLogP1.96
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
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

ethyl 4-[[N'-[3-(butan-2-ylamino)-3-oxopropyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111073366
3-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111073388
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 110920491
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110927813
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
N-butan-2-yl-3-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111734817
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide (CID 110920904) is 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide is CCC(C)NC(=O)CC/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide?
The InChIKey is HQOBHTYCPJKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-4-12(3)17-13(19)5-8-16-14(15)18-9-6-11(2)7-10-18;/h11-12H,4-10H2,1-3H3,(H2,15,16)(H,17,19);1H.
What are the key properties of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide?
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide is sourced from PubChem (CID 110920904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).