2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine

C18H25N — CID 174327281

IUPAC2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine
SMILESC=C/C=C\C1=C(C)C(C)=C(/C=C\C=C)C1(C)N(C)C
InChIInChI=1S/C18H25N/c1-8-10-12-16-14(3)15(4)17(13-11-9-2)18(16,5)19(6)7/h8-13H,1-2H2,3-7H3/b12-10-,13-11-
InChIKeyWCBOAOBYGYFLCI-MIMPSMLTSA-N
MW255.40 g/mol
LogP4.44
Rot. Bonds5

About 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine

2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine (PubChem CID 174327281) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine
PubChem CID174327281
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine
SMILESC=C/C=C\C1=C(C)C(C)=C(/C=C\C=C)C1(C)N(C)C
InChIInChI=1S/C18H25N/c1-8-10-12-16-14(3)15(4)17(13-11-9-2)18(16,5)19(6)7/h8-13H,1-2H2,3-7H3/b12-10-,13-11-
InChIKeyWCBOAOBYGYFLCI-MIMPSMLTSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine?
The IUPAC name of 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine (CID 174327281) is 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine is C=C/C=C\C1=C(C)C(C)=C(/C=C\C=C)C1(C)N(C)C.
What is the InChIKey of 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine?
The InChIKey is WCBOAOBYGYFLCI-MIMPSMLTSA-N. The full InChI is InChI=1S/C18H25N/c1-8-10-12-16-14(3)15(4)17(13-11-9-2)18(16,5)19(6)7/h8-13H,1-2H2,3-7H3/b12-10-,13-11-.
What are the key properties of 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine?
2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 174327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).