1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine

C18H38N4 — CID 109484157

IUPAC1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCCCN(C)C(C)C
InChIInChI=1S/C18H38N4/c1-7-8-9-10-12-16-22(6)18(19-4)20-14-11-13-15-21(5)17(2)3/h7,17H,1,8-16H2,2-6H3,(H,19,20)
InChIKeyOENOLENQBOYQLA-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.36
Rot. Bonds12

About 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine

1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine (PubChem CID 109484157) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
PubChem CID109484157
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCCCN(C)C(C)C
InChIInChI=1S/C18H38N4/c1-7-8-9-10-12-16-22(6)18(19-4)20-14-11-13-15-21(5)17(2)3/h7,17H,1,8-16H2,2-6H3,(H,19,20)
InChIKeyOENOLENQBOYQLA-UHFFFAOYSA-N
XLogP3.36
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.36
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 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine (CID 109484157) is 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine is C=CCCCCCN(C)/C(=N/C)NCCCCN(C)C(C)C.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The InChIKey is OENOLENQBOYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-7-8-9-10-12-16-22(6)18(19-4)20-14-11-13-15-21(5)17(2)3/h7,17H,1,8-16H2,2-6H3,(H,19,20).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine has a molecular weight of 310.53 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 109484157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).