1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

C19H33N5 — CID 110967730

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCC(C)(C)N1CC(C)CC(C)C1
InChIInChI=1S/C19H33N5/c1-15-10-16(2)13-24(12-15)19(3,4)14-23-18(20-5)22-11-17-8-6-7-9-21-17/h6-9,15-16H,10-14H2,1-5H3,(H2,20,22,23)
InChIKeyLWEXASWMZZJDAH-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110967730) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110967730
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCC(C)(C)N1CC(C)CC(C)C1
InChIInChI=1S/C19H33N5/c1-15-10-16(2)13-24(12-15)19(3,4)14-23-18(20-5)22-11-17-8-6-7-9-21-17/h6-9,15-16H,10-14H2,1-5H3,(H2,20,22,23)
InChIKeyLWEXASWMZZJDAH-UHFFFAOYSA-N
XLogP2.50
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968219
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969518
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968678
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111321201
2-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970704
1-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970738
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970934
2-methyl-1-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110967468
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494061
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
tert-butyl N-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 110971226
1-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111494168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 110967730) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is C/N=C(\NCc1ccccn1)NCC(C)(C)N1CC(C)CC(C)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is LWEXASWMZZJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-15-10-16(2)13-24(12-15)19(3,4)14-23-18(20-5)22-11-17-8-6-7-9-21-17/h6-9,15-16H,10-14H2,1-5H3,(H2,20,22,23).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 331.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110967730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).