N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine

C15H19N — CID 59648781

IUPACN,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine
SMILESCC1=CC=C(C=CC2=CC=C(N(C)C)C2)C1
InChIInChI=1S/C15H19N/c1-12-4-5-13(10-12)6-7-14-8-9-15(11-14)16(2)3/h4-9H,10-11H2,1-3H3
InChIKeyUEQSGWVTFRLFOM-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.59
Rot. Bonds3

About N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine

N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine (PubChem CID 59648781) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine
PubChem CID59648781
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine
SMILESCC1=CC=C(C=CC2=CC=C(N(C)C)C2)C1
InChIInChI=1S/C15H19N/c1-12-4-5-13(10-12)6-7-14-8-9-15(11-14)16(2)3/h4-9H,10-11H2,1-3H3
InChIKeyUEQSGWVTFRLFOM-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine (CID 59648781) is N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine is CC1=CC=C(C=CC2=CC=C(N(C)C)C2)C1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine?
The InChIKey is UEQSGWVTFRLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12-4-5-13(10-12)6-7-14-8-9-15(11-14)16(2)3/h4-9H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine?
N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 59648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).