1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine

C16H32N4 — CID 111791527

IUPAC1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCC=CCC/N=C(\NCC)NC1CCN(CCC)CC1
InChIInChI=1S/C16H32N4/c1-4-7-8-11-18-16(17-6-3)19-15-9-13-20(12-5-2)14-10-15/h4,7,15H,5-6,8-14H2,1-3H3,(H2,17,18,19)
InChIKeySCWFDABLKQHNKM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.38
Rot. Bonds7

About 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine

1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111791527) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111791527
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCC=CCC/N=C(\NCC)NC1CCN(CCC)CC1
InChIInChI=1S/C16H32N4/c1-4-7-8-11-18-16(17-6-3)19-15-9-13-20(12-5-2)14-10-15/h4,7,15H,5-6,8-14H2,1-3H3,(H2,17,18,19)
InChIKeySCWFDABLKQHNKM-UHFFFAOYSA-N
XLogP2.38
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 112181759
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-2-[(E)-pent-3-enyl]guanidine
CID 112181783
6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141271071
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482906
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482907
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109482944
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 109482945
2-[(1,4-Dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483330
2-[(1,4-Dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483331
3-Ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 109483755
1-Hept-6-enyl-1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109483866
1-Hept-6-enyl-1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 109483867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine (CID 111791527) is 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine is CC=CCC/N=C(\NCC)NC1CCN(CCC)CC1.
What is the InChIKey of 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is SCWFDABLKQHNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-4-7-8-11-18-16(17-6-3)19-15-9-13-20(12-5-2)14-10-15/h4,7,15H,5-6,8-14H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine?
1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 280.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111791527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).