1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine

C17H34N4 — CID 111587799

IUPAC1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(=N/CCCN1CCC(C)CC1)NCC
InChIInChI=1S/C17H34N4/c1-4-6-7-11-19-17(18-5-2)20-12-8-13-21-14-9-16(3)10-15-21/h4,6,16H,5,7-15H2,1-3H3,(H2,18,19,20)/b6-4+
InChIKeyRFFBOTHSUNXGHX-GQCTYLIASA-N
MW294.49 g/mol
LogP2.63
Rot. Bonds8

About 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine

1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine (PubChem CID 111587799) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine
PubChem CID111587799
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(=N/CCCN1CCC(C)CC1)NCC
InChIInChI=1S/C17H34N4/c1-4-6-7-11-19-17(18-5-2)20-12-8-13-21-14-9-16(3)10-15-21/h4,6,16H,5,7-15H2,1-3H3,(H2,18,19,20)/b6-4+
InChIKeyRFFBOTHSUNXGHX-GQCTYLIASA-N
XLogP2.63
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.63
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-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111786671
N-[2-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111387215
N,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide
CID 111387892
1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387906
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111386580
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111573737
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136920988
2-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387833
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388017
1-ethyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111225240
1-ethyl-2-(3-methoxypropyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 110973779

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine (CID 111587799) is 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine is C/C=C/CCN/C(=N/CCCN1CCC(C)CC1)NCC.
What is the InChIKey of 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine?
The InChIKey is RFFBOTHSUNXGHX-GQCTYLIASA-N. The full InChI is InChI=1S/C17H34N4/c1-4-6-7-11-19-17(18-5-2)20-12-8-13-21-14-9-16(3)10-15-21/h4,6,16H,5,7-15H2,1-3H3,(H2,18,19,20)/b6-4+.
What are the key properties of 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine?
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine has a molecular weight of 294.49 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine is sourced from PubChem (CID 111587799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).