2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine

C16H34N4 — CID 109484291

IUPAC2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCCN(C)C)NCC
InChIInChI=1S/C16H34N4/c1-6-8-9-10-11-15-20(5)16(17-7-2)18-13-12-14-19(3)4/h6H,1,7-15H2,2-5H3,(H,17,18)
InChIKeyJPZNTUVLLASQLN-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.58
Rot. Bonds11

About 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine

2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine (PubChem CID 109484291) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
PubChem CID109484291
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCCN(C)C)NCC
InChIInChI=1S/C16H34N4/c1-6-8-9-10-11-15-20(5)16(17-7-2)18-13-12-14-19(3)4/h6H,1,7-15H2,2-5H3,(H,17,18)
InChIKeyJPZNTUVLLASQLN-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The IUPAC name of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine (CID 109484291) is 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine is C=CCCCCCN(C)/C(=N\CCCN(C)C)NCC.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The InChIKey is JPZNTUVLLASQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-6-8-9-10-11-15-20(5)16(17-7-2)18-13-12-14-19(3)4/h6H,1,7-15H2,2-5H3,(H,17,18).
What are the key properties of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine 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-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine is sourced from PubChem (CID 109484291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).