1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide

C15H33IN4 — CID 111060442

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCCN1CC(C)CC(C)C1.I
InChIInChI=1S/C15H32N4.HI/c1-4-7-17-15(16)18-8-5-6-9-19-11-13(2)10-14(3)12-19;/h13-14H,4-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyBNTIFDHBCXOYQR-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.68
Rot. Bonds7

About 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide

1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide (PubChem CID 111060442) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
PubChem CID111060442
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCCN1CC(C)CC(C)C1.I
InChIInChI=1S/C15H32N4.HI/c1-4-7-17-15(16)18-8-5-6-9-19-11-13(2)10-14(3)12-19;/h13-14H,4-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyBNTIFDHBCXOYQR-UHFFFAOYSA-N
XLogP2.68
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
CID 111057510
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
1-tert-butyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060450
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111057517
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111057554
1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
CID 111057518
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide (CID 111060442) is 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCCCN1CC(C)CC(C)C1.I.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
The InChIKey is BNTIFDHBCXOYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-4-7-17-15(16)18-8-5-6-9-19-11-13(2)10-14(3)12-19;/h13-14H,4-12H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111060442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).