N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine

C19H19N — CID 135227648

IUPACN-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine
SMILESC=CC(=C)Nc1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C19H19N/c1-5-13(2)20-14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18,3)4/h5-12,20H,1-2H2,3-4H3
InChIKeyMMIMHPYIYCATNQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.10
Rot. Bonds3

About N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine

N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine (PubChem CID 135227648) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine
PubChem CID135227648
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine
SMILESC=CC(=C)Nc1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C19H19N/c1-5-13(2)20-14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18,3)4/h5-12,20H,1-2H2,3-4H3
InChIKeyMMIMHPYIYCATNQ-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
CID 153369649
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
1-N,3-N,5-N-tris(9,9-dimethylfluoren-3-yl)-2,4,6-trinitrobenzene-1,3,5-triamine
CID 156756835
3-fluoro-9,9-dimethylfluorene
CID 130217991
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
CID 134401870
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)fluoren-3-amine
CID 164550717

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine (CID 135227648) is N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine is C=CC(=C)Nc1ccc2c(c1)-c1ccccc1C2(C)C.
What is the InChIKey of N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine?
The InChIKey is MMIMHPYIYCATNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-5-13(2)20-14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18,3)4/h5-12,20H,1-2H2,3-4H3.
What are the key properties of N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine?
N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine has a molecular weight of 261.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 135227648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).