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

C16H34N4 — CID 109496852

IUPAC2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCN(C)CCCC)NCC
InChIInChI=1S/C16H34N4/c1-6-9-11-14-20(5)16(17-8-3)18-12-15-19(4)13-10-7-2/h6H,1,7-15H2,2-5H3,(H,17,18)
InChIKeySKJNTDQGIRRORD-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.58
Rot. Bonds11

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

2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine (PubChem CID 109496852) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
PubChem CID109496852
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCN(C)CCCC)NCC
InChIInChI=1S/C16H34N4/c1-6-9-11-14-20(5)16(17-8-3)18-12-15-19(4)13-10-7-2/h6H,1,7-15H2,2-5H3,(H,17,18)
InChIKeySKJNTDQGIRRORD-UHFFFAOYSA-N
XLogP2.58
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.58
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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Related Compounds

3-Ethyl-1-methyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497369
3-Ethyl-1-methyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine
CID 109497370
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214
1,2-Dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109499585
1,2-Dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine
CID 109499586
2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine
CID 69381236
1-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylpent-4-en-1-amine
CID 69634166
2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylpent-4-en-2-amine
CID 69731763
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
2-N,2-N,4-N,6-N,6-N,4-hexakis(prop-2-enyl)-1H-1,3,5-triazine-2,4,6-triamine
CID 176108884
N-[N-[(E)-but-2-enyl]-N-but-3-enylcarbamimidoyl]-N'-[[but-3-enyl(butyl)amino]methyl]methanimidamide
CID 176524411

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
The IUPAC name of 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine (CID 109496852) is 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine.
What is the SMILES notation for 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
The canonical SMILES for 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\CCN(C)CCCC)NCC.
What is the InChIKey of 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
The InChIKey is SKJNTDQGIRRORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-6-9-11-14-20(5)16(17-8-3)18-12-15-19(4)13-10-7-2/h6H,1,7-15H2,2-5H3,(H,17,18).
What are the key properties of 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine has a molecular weight of 282.48 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109496852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).