1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine

C21H21N3 — CID 66850997

IUPAC1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine
SMILESCC1=CC=CNC1=C1c2c(ccc(N)c2C)-c2ccc(N)c(C)c21
InChIInChI=1S/C21H21N3/c1-11-5-4-10-24-21(11)20-18-12(2)16(22)8-6-14(18)15-7-9-17(23)13(3)19(15)20/h4-10,24H,22-23H2,1-3H3
InChIKeyCCPVCXKTYMGZOH-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.27
Rot. Bonds

About 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine

1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine (PubChem CID 66850997) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine.

Molecular Properties

Compound Name1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine
PubChem CID66850997
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine
SMILESCC1=CC=CNC1=C1c2c(ccc(N)c2C)-c2ccc(N)c(C)c21
InChIInChI=1S/C21H21N3/c1-11-5-4-10-24-21(11)20-18-12(2)16(22)8-6-14(18)15-7-9-17(23)13(3)19(15)20/h4-10,24H,22-23H2,1-3H3
InChIKeyCCPVCXKTYMGZOH-UHFFFAOYSA-N
XLogP4.27
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-2-fluoro-3-methylbenzonitrile;ethane
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CID 45078283
3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
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CID 70167322

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine?
The IUPAC name of 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine (CID 66850997) is 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine.
What is the SMILES notation for 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine?
The canonical SMILES for 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine is CC1=CC=CNC1=C1c2c(ccc(N)c2C)-c2ccc(N)c(C)c21.
What is the InChIKey of 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine?
The InChIKey is CCPVCXKTYMGZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-11-5-4-10-24-21(11)20-18-12(2)16(22)8-6-14(18)15-7-9-17(23)13(3)19(15)20/h4-10,24H,22-23H2,1-3H3.
What are the key properties of 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine?
1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine has a molecular weight of 315.42 g/mol, XLogP of 4.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-9-(3-methyl-1H-pyridin-2-ylidene)fluorene-2,7-diamine is sourced from PubChem (CID 66850997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).