1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine

C19H37N5O — CID 110999207

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(c1ccco1)N(C)C
InChIInChI=1S/C19H37N5O/c1-7-24(8-2)13-9-11-16(3)22-19(20-4)21-15-17(23(5)6)18-12-10-14-25-18/h10,12,14,16-17H,7-9,11,13,15H2,1-6H3,(H2,20,21,22)
InChIKeyCWQJRKUUXNPBTG-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.56
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine

1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine (PubChem CID 110999207) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
PubChem CID110999207
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(c1ccco1)N(C)C
InChIInChI=1S/C19H37N5O/c1-7-24(8-2)13-9-11-16(3)22-19(20-4)21-15-17(23(5)6)18-12-10-14-25-18/h10,12,14,16-17H,7-9,11,13,15H2,1-6H3,(H2,20,21,22)
InChIKeyCWQJRKUUXNPBTG-UHFFFAOYSA-N
XLogP2.56
TPSA56.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.56
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

1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171973
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110998033
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342237
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978510
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-hexyl-2-methylguanidine
CID 111161109
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977065
N-[4-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 110998167
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 110998601
1-[5-(diethylamino)pentan-2-yl]-3-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110999062
1-[(5-bromothiophen-2-yl)methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999365
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999819

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine (CID 110999207) is 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine is CCN(CC)CCCC(C)N/C(=N\C)NCC(c1ccco1)N(C)C.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine?
The InChIKey is CWQJRKUUXNPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-7-24(8-2)13-9-11-16(3)22-19(20-4)21-15-17(23(5)6)18-12-10-14-25-18/h10,12,14,16-17H,7-9,11,13,15H2,1-6H3,(H2,20,21,22).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine?
1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine has a molecular weight of 351.54 g/mol, XLogP of 2.56, 11 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]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110999207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).