1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine

C21H45N5 — CID 111000019

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C21H45N5/c1-7-25(8-2)13-11-12-19(5)24-21(22-6)23-17-20(16-18(3)4)26-14-9-10-15-26/h18-20H,7-17H2,1-6H3,(H2,22,23,24)
InChIKeyQZZCGDOLRSAXJJ-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.17
Rot. Bonds12

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine (PubChem CID 111000019) has the molecular formula C21H45N5 and a molecular weight of 367.63 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
PubChem CID111000019
Molecular FormulaC21H45N5
Molecular Weight367.63 g/mol
Exact Mass367.37
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C21H45N5/c1-7-25(8-2)13-11-12-19(5)24-21(22-6)23-17-20(16-18(3)4)26-14-9-10-15-26/h18-20H,7-17H2,1-6H3,(H2,22,23,24)
InChIKeyQZZCGDOLRSAXJJ-UHFFFAOYSA-N
XLogP3.17
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.17
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-butan-2-yl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110946050
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125178
1-[5-(diethylamino)pentan-2-yl]-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 110999198
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111150541
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110998186
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111000213
1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110934699
1-(2-ethoxyethyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111895019
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 110999825
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110998971
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine (CID 111000019) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCC(CC(C)C)N1CCCC1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The InChIKey is QZZCGDOLRSAXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N5/c1-7-25(8-2)13-11-12-19(5)24-21(22-6)23-17-20(16-18(3)4)26-14-9-10-15-26/h18-20H,7-17H2,1-6H3,(H2,22,23,24).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine has a molecular weight of 367.63 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine is sourced from PubChem (CID 111000019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).