1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine

C19H43N5 — CID 110998971

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C19H43N5/c1-9-23(10-2)14-11-12-18(7)22-19(20-8)21-13-15-24(16(3)4)17(5)6/h16-18H,9-15H2,1-8H3,(H2,20,21,22)
InChIKeyTXZGSGRCCZHEPC-UHFFFAOYSA-N
MW341.59 g/mol
LogP2.78
Rot. Bonds12

About 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine

1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine (PubChem CID 110998971) has the molecular formula C19H43N5 and a molecular weight of 341.59 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
PubChem CID110998971
Molecular FormulaC19H43N5
Molecular Weight341.59 g/mol
Exact Mass341.35
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C19H43N5/c1-9-23(10-2)14-11-12-18(7)22-19(20-8)21-13-15-24(16(3)4)17(5)6/h16-18H,9-15H2,1-8H3,(H2,20,21,22)
InChIKeyTXZGSGRCCZHEPC-UHFFFAOYSA-N
XLogP2.78
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 52.78
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-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110998580
1-[2-(tert-butylamino)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759751
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[5-(diethylamino)pentan-2-yl]-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 110998382
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 110998628
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 111834020
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111509822
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999621
1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000953

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine (CID 110998971) is 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine is CCN(CC)CCCC(C)N/C(=N\C)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The InChIKey is TXZGSGRCCZHEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N5/c1-9-23(10-2)14-11-12-18(7)22-19(20-8)21-13-15-24(16(3)4)17(5)6/h16-18H,9-15H2,1-8H3,(H2,20,21,22).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine has a molecular weight of 341.59 g/mol, XLogP of 2.78, 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]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 110998971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).