3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine

C14H27N3 — CID 109483201

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine
SMILESC=CCCCCCN(C)/C(=N\CC=C)NCC
InChIInChI=1S/C14H27N3/c1-5-8-9-10-11-13-17(4)14(15-7-3)16-12-6-2/h5-6H,1-2,7-13H2,3-4H3,(H,15,16)
InChIKeyGCLGDIAZHKQRMY-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.82
Rot. Bonds9

About 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine

3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine (PubChem CID 109483201) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine
PubChem CID109483201
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine
SMILESC=CCCCCCN(C)/C(=N\CC=C)NCC
InChIInChI=1S/C14H27N3/c1-5-8-9-10-11-13-17(4)14(15-7-3)16-12-6-2/h5-6H,1-2,7-13H2,3-4H3,(H,15,16)
InChIKeyGCLGDIAZHKQRMY-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine (CID 109483201) is 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine is C=CCCCCCN(C)/C(=N\CC=C)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine?
The InChIKey is GCLGDIAZHKQRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-9-10-11-13-17(4)14(15-7-3)16-12-6-2/h5-6H,1-2,7-13H2,3-4H3,(H,15,16).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1-methyl-2-prop-2-enylguanidine is sourced from PubChem (CID 109483201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).