1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide

C14H31IN4 — CID 110943679

IUPAC1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCC1CCCN(CC)C1.I
InChIInChI=1S/C14H30N4.HI/c1-5-12(3)17-14(15-4)16-10-13-8-7-9-18(6-2)11-13;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyAONCEEIBMYDKQL-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.30
Rot. Bonds5

About 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide

1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 110943679) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide
PubChem CID110943679
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCC1CCCN(CC)C1.I
InChIInChI=1S/C14H30N4.HI/c1-5-12(3)17-14(15-4)16-10-13-8-7-9-18(6-2)11-13;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyAONCEEIBMYDKQL-UHFFFAOYSA-N
XLogP2.30
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.30
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-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111203599
1-(2-ethylbutyl)-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111891276
1-butan-2-yl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 110943681
1-[5-(diethylamino)pentan-2-yl]-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110999288
1-(3-ethoxy-4-methylpentyl)-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111717283
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109482868
2-methyl-1-(5-methylhexan-2-yl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111203587
1-(cyclopropylmethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111867320
1-[(1-ethylpiperidin-3-yl)methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973911
1-[(2-ethylphenyl)methyl]-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine
CID 111635294
1-cyclopentyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110991728
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203860

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide (CID 110943679) is 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide is CCC(C)N/C(=N\C)NCC1CCCN(CC)C1.I.
What is the InChIKey of 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is AONCEEIBMYDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-5-12(3)17-14(15-4)16-10-13-8-7-9-18(6-2)11-13;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110943679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).