1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide

C15H32IN5O — CID 110927221

IUPAC1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CCCCN1CCC(C(N)=O)CC1.I
InChIInChI=1S/C15H31N5O.HI/c1-3-12(2)19-15(17)18-8-4-5-9-20-10-6-13(7-11-20)14(16)21;/h12-13H,3-11H2,1-2H3,(H2,16,21)(H3,17,18,19);1H
InChIKeyAYDUOZUTKBEUDC-UHFFFAOYSA-N
MW425.36 g/mol
LogP1.28
Rot. Bonds8

About 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide

1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide (PubChem CID 110927221) has the molecular formula C15H32IN5O and a molecular weight of 425.36 g/mol. Its IUPAC name is 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
PubChem CID110927221
Molecular FormulaC15H32IN5O
Molecular Weight425.36 g/mol
Exact Mass425.17
IUPAC Name1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CCCCN1CCC(C(N)=O)CC1.I
InChIInChI=1S/C15H31N5O.HI/c1-3-12(2)19-15(17)18-8-4-5-9-20-10-6-13(7-11-20)14(16)21;/h12-13H,3-11H2,1-2H3,(H2,16,21)(H3,17,18,19);1H
InChIKeyAYDUOZUTKBEUDC-UHFFFAOYSA-N
XLogP1.28
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
1-[4-[(N'-octylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060520
1-[4-[[ethylamino-(octan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111212381
1-[4-[[amino-(2,6-diethylanilino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060530
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
1-[4-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111145118
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110940018
2-[4-(4-benzylpiperidin-1-yl)butyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111807935
1-[4-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111740430
1-propylpiperidine-4-carboxamide
CID 18678413
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide?
The IUPAC name of 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide (CID 110927221) is 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide.
What is the SMILES notation for 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide?
The canonical SMILES for 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide is CCC(C)N/C(N)=N/CCCCN1CCC(C(N)=O)CC1.I.
What is the InChIKey of 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide?
The InChIKey is AYDUOZUTKBEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O.HI/c1-3-12(2)19-15(17)18-8-4-5-9-20-10-6-13(7-11-20)14(16)21;/h12-13H,3-11H2,1-2H3,(H2,16,21)(H3,17,18,19);1H.
What are the key properties of 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide?
1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide has a molecular weight of 425.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide is sourced from PubChem (CID 110927221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).