1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide

C14H31IN4 — CID 110029355

IUPAC1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCC(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-4-12(2)17-14(15)16-9-8-13(3)18-10-6-5-7-11-18;/h12-13H,4-11H2,1-3H3,(H3,15,16,17);1H
InChIKeyAWWWBVBNIRFNIC-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.57
Rot. Bonds6

About 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide

1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide (PubChem CID 110029355) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
PubChem CID110029355
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCC(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-4-12(2)17-14(15)16-9-8-13(3)18-10-6-5-7-11-18;/h12-13H,4-11H2,1-3H3,(H3,15,16,17);1H
InChIKeyAWWWBVBNIRFNIC-UHFFFAOYSA-N
XLogP2.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.57
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

1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110927047
1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
CID 110032404
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
1,3-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
CID 110029362
1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 51132121
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032395
1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 52525028
1-cyclopropyl-1-methyl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032359
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine
CID 110032364
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032415
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-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide (CID 110029355) is 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide is CCC(C)N/C(N)=N/CCC(C)N1CCCCC1.I.
What is the InChIKey of 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
The InChIKey is AWWWBVBNIRFNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-4-12(2)17-14(15)16-9-8-13(3)18-10-6-5-7-11-18;/h12-13H,4-11H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 110029355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).