N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine

C19H27N — CID 23015687

IUPACN-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC1=CCC(c2ccccc2C(C)NC(C)(C)C)=C1C
InChIInChI=1S/C19H27N/c1-13-11-12-16(14(13)2)18-10-8-7-9-17(18)15(3)20-19(4,5)6/h7-11,15,20H,12H2,1-6H3
InChIKeyBBLKMZUWAQEGGE-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.26
Rot. Bonds3

About N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine

N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 23015687) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID23015687
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC1=CCC(c2ccccc2C(C)NC(C)(C)C)=C1C
InChIInChI=1S/C19H27N/c1-13-11-12-16(14(13)2)18-10-8-7-9-17(18)15(3)20-19(4,5)6/h7-11,15,20H,12H2,1-6H3
InChIKeyBBLKMZUWAQEGGE-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine
CID 23014961
1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride
CID 87491052
1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 139725078
CID 177386245
CID 177386245
N-[[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]butan-1-amine
CID 23015602
2-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87500281
3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde
CID 23015780
N-[1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]aniline
CID 23016289
tert-butyl-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]azanide;titanium
CID 87586738
bis(2-propan-2-ylphenol);bis(1,2,3-trimethylcyclopenta-1,3-diene);zirconium
CID 22676230
N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine
CID 43824428
ethane;3-methyl-1H-indene
CID 90920725

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine (CID 23015687) is N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine is CC1=CCC(c2ccccc2C(C)NC(C)(C)C)=C1C.
What is the InChIKey of N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is BBLKMZUWAQEGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-13-11-12-16(14(13)2)18-10-8-7-9-17(18)15(3)20-19(4,5)6/h7-11,15,20H,12H2,1-6H3.
What are the key properties of N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine?
N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 23015687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).