1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine

C14H32N4 — CID 110943508

IUPAC1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)N(CC)CC)NC(C)CC
InChIInChI=1S/C14H32N4/c1-7-12(5)17-14(15-8-2)16-11-13(6)18(9-3)10-4/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyUDPWQXAMHDWTIX-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.07
Rot. Bonds8

About 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine

1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine (PubChem CID 110943508) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine
PubChem CID110943508
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)N(CC)CC)NC(C)CC
InChIInChI=1S/C14H32N4/c1-7-12(5)17-14(15-8-2)16-11-13(6)18(9-3)10-4/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyUDPWQXAMHDWTIX-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.07
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-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 110945266
1-butan-2-yl-2-(2,2-dicyclopropylethyl)-3-ethylguanidine
CID 111492016
1-butan-2-yl-3-ethyl-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111545343
1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111178078
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190048
1-butan-2-yl-3-ethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110944383
2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187880
2-[2-(diethylamino)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971690
1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110944617
1-butan-2-yl-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 110945780
1-butan-2-yl-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110945323
N-butan-2-yl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179527

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine?
The IUPAC name of 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine (CID 110943508) is 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine.
What is the SMILES notation for 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine?
The canonical SMILES for 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine is CCN/C(=N\CC(C)N(CC)CC)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine?
The InChIKey is UDPWQXAMHDWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-7-12(5)17-14(15-8-2)16-11-13(6)18(9-3)10-4/h12-13H,7-11H2,1-6H3,(H2,15,16,17).
What are the key properties of 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine?
1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine has a molecular weight of 256.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine is sourced from PubChem (CID 110943508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).