1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine

C21H36N4 — CID 111771448

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NC1CC1c1ccccc1C
InChIInChI=1S/C21H36N4/c1-6-25(7-2)14-10-12-17(4)23-21(22-5)24-20-15-19(20)18-13-9-8-11-16(18)3/h8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-5H3,(H2,22,23,24)
InChIKeyIQXGMRQBNLGFEK-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.53
Rot. Bonds9

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 111771448) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID111771448
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NC1CC1c1ccccc1C
InChIInChI=1S/C21H36N4/c1-6-25(7-2)14-10-12-17(4)23-21(22-5)24-20-15-19(20)18-13-9-8-11-16(18)3/h8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-5H3,(H2,22,23,24)
InChIKeyIQXGMRQBNLGFEK-UHFFFAOYSA-N
XLogP3.53
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.53
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'}

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Related Compounds

1-[2-(4-bromophenyl)cyclopropyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110999182
1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111000173
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999973
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111000113
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771296
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 110999013
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999819
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110998033
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110998960
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111826793
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 110998723

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 111771448) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NC1CC1c1ccccc1C.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is IQXGMRQBNLGFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-6-25(7-2)14-10-12-17(4)23-21(22-5)24-20-15-19(20)18-13-9-8-11-16(18)3/h8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 344.55 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111771448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).