1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine

C23H42N6 — CID 110997599

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C23H42N6/c1-6-28(7-2)14-8-9-20(4)27-23(24-5)26-18-21-10-11-22(25-17-21)29-15-12-19(3)13-16-29/h10-11,17,19-20H,6-9,12-16,18H2,1-5H3,(H2,24,26,27)
InChIKeyYOLLLJPNENTJMW-UHFFFAOYSA-N
MW402.63 g/mol
LogP3.49
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 110997599) has the molecular formula C23H42N6 and a molecular weight of 402.63 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
PubChem CID110997599
Molecular FormulaC23H42N6
Molecular Weight402.63 g/mol
Exact Mass402.35
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C23H42N6/c1-6-28(7-2)14-8-9-20(4)27-23(24-5)26-18-21-10-11-22(25-17-21)29-15-12-19(3)13-16-29/h10-11,17,19-20H,6-9,12-16,18H2,1-5H3,(H2,24,26,27)
InChIKeyYOLLLJPNENTJMW-UHFFFAOYSA-N
XLogP3.49
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methyl-1-(3-methylbutan-2-yl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000294
1-(2-ethylbutyl)-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111891683
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125338
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111131703
1-(3-ethoxypropyl)-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111222259
1-[5-(diethylamino)pentan-2-yl]-3-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111791181
2-methyl-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401946
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 110998568
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110998960
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111875054
2-methyl-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394278
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110997874

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine (CID 110997599) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCc1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is YOLLLJPNENTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N6/c1-6-28(7-2)14-8-9-20(4)27-23(24-5)26-18-21-10-11-22(25-17-21)29-15-12-19(3)13-16-29/h10-11,17,19-20H,6-9,12-16,18H2,1-5H3,(H2,24,26,27).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 402.63 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 110997599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).