3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine

C15H32N4 — CID 109496057

IUPAC3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCN(C)C(C)C)NCC
InChIInChI=1S/C15H32N4/c1-7-9-10-12-19(6)15(16-8-2)17-11-13-18(5)14(3)4/h7,14H,1,8-13H2,2-6H3,(H,16,17)
InChIKeyJPXLFLRBUGFBPV-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.19
Rot. Bonds9

About 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine

3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine (PubChem CID 109496057) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine
PubChem CID109496057
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCN(C)C(C)C)NCC
InChIInChI=1S/C15H32N4/c1-7-9-10-12-19(6)15(16-8-2)17-11-13-18(5)14(3)4/h7,14H,1,8-13H2,2-6H3,(H,16,17)
InChIKeyJPXLFLRBUGFBPV-UHFFFAOYSA-N
XLogP2.19
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine?
The IUPAC name of 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine (CID 109496057) is 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine?
The canonical SMILES for 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\CCN(C)C(C)C)NCC.
What is the InChIKey of 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine?
The InChIKey is JPXLFLRBUGFBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-7-9-10-12-19(6)15(16-8-2)17-11-13-18(5)14(3)4/h7,14H,1,8-13H2,2-6H3,(H,16,17).
What are the key properties of 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine?
3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine has a molecular weight of 268.45 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109496057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).