2,4-dimethyl-9-propan-2-ylcarbazol-3-amine

C17H20N2 — CID 11779995

IUPAC2,4-dimethyl-9-propan-2-ylcarbazol-3-amine
SMILESCc1cc2c(c(C)c1N)c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2/c1-10(2)19-14-8-6-5-7-13(14)16-12(4)17(18)11(3)9-15(16)19/h5-10H,18H2,1-4H3
InChIKeyVRPPTWROMMUVEU-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.57
Rot. Bonds1

About 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine

2,4-dimethyl-9-propan-2-ylcarbazol-3-amine (PubChem CID 11779995) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-9-propan-2-ylcarbazol-3-amine
PubChem CID11779995
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2,4-dimethyl-9-propan-2-ylcarbazol-3-amine
SMILESCc1cc2c(c(C)c1N)c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2/c1-10(2)19-14-8-6-5-7-13(14)16-12(4)17(18)11(3)9-15(16)19/h5-10H,18H2,1-4H3
InChIKeyVRPPTWROMMUVEU-UHFFFAOYSA-N
XLogP4.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine?
The IUPAC name of 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine (CID 11779995) is 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine.
What is the SMILES notation for 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine?
The canonical SMILES for 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine is Cc1cc2c(c(C)c1N)c1ccccc1n2C(C)C.
What is the InChIKey of 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine?
The InChIKey is VRPPTWROMMUVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-10(2)19-14-8-6-5-7-13(14)16-12(4)17(18)11(3)9-15(16)19/h5-10H,18H2,1-4H3.
What are the key properties of 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine?
2,4-dimethyl-9-propan-2-ylcarbazol-3-amine has a molecular weight of 252.36 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-9-propan-2-ylcarbazol-3-amine is sourced from PubChem (CID 11779995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).