1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine

C12H29N5 — CID 19830403

IUPAC1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine
SMILESC=CNC(C(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C12H29N5/c1-10-13-12(16(6)7,17(8)9)11(14(2)3)15(4)5/h10-11,13H,1H2,2-9H3
InChIKeyCPJIHECWJPEDHE-UHFFFAOYSA-N
MW243.40 g/mol
LogP-0.05
Rot. Bonds7

About 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine

1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine (PubChem CID 19830403) has the molecular formula C12H29N5 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine.

Molecular Properties

Compound Name1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine
PubChem CID19830403
Molecular FormulaC12H29N5
Molecular Weight243.40 g/mol
Exact Mass243.24
IUPAC Name1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine
SMILESC=CNC(C(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C12H29N5/c1-10-13-12(16(6)7,17(8)9)11(14(2)3)15(4)5/h10-11,13H,1H2,2-9H3
InChIKeyCPJIHECWJPEDHE-UHFFFAOYSA-N
XLogP-0.05
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine?
The IUPAC name of 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine (CID 19830403) is 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine.
What is the SMILES notation for 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine?
The canonical SMILES for 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine is C=CNC(C(N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine?
The InChIKey is CPJIHECWJPEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N5/c1-10-13-12(16(6)7,17(8)9)11(14(2)3)15(4)5/h10-11,13H,1H2,2-9H3.
What are the key properties of 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine?
1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine has a molecular weight of 243.40 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-1-N',1-N',1-N",1-N",2-N,2-N,2-N',2-N'-octamethylethane-1,1,1,2,2-pentamine is sourced from PubChem (CID 19830403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).