1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

C19H36N4O2 — CID 111509831

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NC(C)CCCN(CC)CC
InChIInChI=1S/C19H36N4O2/c1-6-20-18(21-15-19(5,24)17-12-10-14-25-17)22-16(4)11-9-13-23(7-2)8-3/h10,12,14,16,24H,6-9,11,13,15H2,1-5H3,(H2,20,21,22)
InChIKeyQTSPFEMAXODRJH-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.55
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (PubChem CID 111509831) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
PubChem CID111509831
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NC(C)CCCN(CC)CC
InChIInChI=1S/C19H36N4O2/c1-6-20-18(21-15-19(5,24)17-12-10-14-25-17)22-16(4)11-9-13-23(7-2)8-3/h10,12,14,16,24H,6-9,11,13,15H2,1-5H3,(H2,20,21,22)
InChIKeyQTSPFEMAXODRJH-UHFFFAOYSA-N
XLogP2.55
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.55
H-Bond Donors ≤ 53
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-[3-(dipropylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671885
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672236
N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110999019
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111510093
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-methyl-2-phenylbutyl)guanidine
CID 111672750
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-prop-2-enylguanidine;hydroiodide
CID 111495185
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
N-[4-[[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110998169
3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111671704
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111672355

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (CID 111509831) is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The InChIKey is QTSPFEMAXODRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-6-20-18(21-15-19(5,24)17-12-10-14-25-17)22-16(4)11-9-13-23(7-2)8-3/h10,12,14,16,24H,6-9,11,13,15H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine has a molecular weight of 352.52 g/mol, XLogP of 2.55, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111509831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).