1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine

C15H30N4 — CID 110980233

IUPAC1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(C)N1CCCCC1C)NCC
InChIInChI=1S/C15H30N4/c1-5-10-17-15(16-6-2)18-12-14(4)19-11-8-7-9-13(19)3/h5,13-14H,1,6-12H2,2-4H3,(H2,16,17,18)
InChIKeyKKNDXXIBWMHBGB-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.99
Rot. Bonds6

About 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine

1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine (PubChem CID 110980233) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
PubChem CID110980233
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(C)N1CCCCC1C)NCC
InChIInChI=1S/C15H30N4/c1-5-10-17-15(16-6-2)18-12-14(4)19-11-8-7-9-13(19)3/h5,13-14H,1,6-12H2,2-4H3,(H2,16,17,18)
InChIKeyKKNDXXIBWMHBGB-UHFFFAOYSA-N
XLogP1.99
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.99
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376449
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
2-Methyl-1-(1-prop-2-enylpiperidin-4-yl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111995260
2-Methyl-1-(1-prop-2-enylpiperidin-4-yl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111995261
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-(1-prop-2-enylpiperidin-4-yl)guanidine;hydroiodide
CID 112031048
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-(1-prop-2-enylpiperidin-4-yl)guanidine
CID 112031049
(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
CID 59069931
N-pentyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 70555211
N-pentyl-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 70555213
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine (CID 110980233) is 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine is C=CCN/C(=N/CC(C)N1CCCCC1C)NCC.
What is the InChIKey of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
The InChIKey is KKNDXXIBWMHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-10-17-15(16-6-2)18-12-14(4)19-11-8-7-9-13(19)3/h5,13-14H,1,6-12H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine has a molecular weight of 266.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110980233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).