1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine

C12H25N3 — CID 111587733

IUPAC1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(=N/CC(C)C)NCC
InChIInChI=1S/C12H25N3/c1-5-7-8-9-14-12(13-6-2)15-10-11(3)4/h5,7,11H,6,8-10H2,1-4H3,(H2,13,14,15)/b7-5+
InChIKeyDCSBIYDIACZWQB-FNORWQNLSA-N
MW211.35 g/mol
LogP2.16
Rot. Bonds6

About 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine

1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine (PubChem CID 111587733) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine
PubChem CID111587733
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(=N/CC(C)C)NCC
InChIInChI=1S/C12H25N3/c1-5-7-8-9-14-12(13-6-2)15-10-11(3)4/h5,7,11H,6,8-10H2,1-4H3,(H2,13,14,15)/b7-5+
InChIKeyDCSBIYDIACZWQB-FNORWQNLSA-N
XLogP2.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986500
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986504
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
N-[(E)-4-methylpent-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052226
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
1,2-dimethyl-3-[(Z)-undec-5-enyl]guanidine
CID 141676982
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
2-Butyl-1-cyclopent-3-en-1-yl-3-ethylguanidine
CID 99714111
1-Cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
CID 99850634

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine (CID 111587733) is 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine is C/C=C/CCN/C(=N/CC(C)C)NCC.
What is the InChIKey of 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine?
The InChIKey is DCSBIYDIACZWQB-FNORWQNLSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-7-8-9-14-12(13-6-2)15-10-11(3)4/h5,7,11H,6,8-10H2,1-4H3,(H2,13,14,15)/b7-5+.
What are the key properties of 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine?
1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylpropyl)-3-[(E)-pent-3-enyl]guanidine is sourced from PubChem (CID 111587733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).