6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene

C29H34N2 — CID 143650255

IUPAC6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene
SMILESC=C(C)n1c2ccc(C(C)CC)cc2c2cc(N(C)c3ccccc3)ccc21.C=CC
InChIInChI=1S/C26H28N2.C3H6/c1-6-19(4)20-12-14-25-23(16-20)24-17-22(13-15-26(24)28(25)18(2)3)27(5)21-10-8-7-9-11-21;1-3-2/h7-17,19H,2,6H2,1,3-5H3;3H,1H2,2H3
InChIKeyDCHVOLRXSFTAHB-UHFFFAOYSA-N
MW410.61 g/mol
LogP8.76
Rot. Bonds5

About 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene

6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene (PubChem CID 143650255) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene.

Molecular Properties

Compound Name6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene
PubChem CID143650255
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene
SMILESC=C(C)n1c2ccc(C(C)CC)cc2c2cc(N(C)c3ccccc3)ccc21.C=CC
InChIInChI=1S/C26H28N2.C3H6/c1-6-19(4)20-12-14-25-23(16-20)24-17-22(13-15-26(24)28(25)18(2)3)27(5)21-10-8-7-9-11-21;1-3-2/h7-17,19H,2,6H2,1,3-5H3;3H,1H2,2H3
InChIKeyDCHVOLRXSFTAHB-UHFFFAOYSA-N
XLogP8.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene?
The IUPAC name of 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene (CID 143650255) is 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene.
What is the SMILES notation for 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene?
The canonical SMILES for 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene is C=C(C)n1c2ccc(C(C)CC)cc2c2cc(N(C)c3ccccc3)ccc21.C=CC.
What is the InChIKey of 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene?
The InChIKey is DCHVOLRXSFTAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2.C3H6/c1-6-19(4)20-12-14-25-23(16-20)24-17-22(13-15-26(24)28(25)18(2)3)27(5)21-10-8-7-9-11-21;1-3-2/h7-17,19H,2,6H2,1,3-5H3;3H,1H2,2H3.
What are the key properties of 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene?
6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene has a molecular weight of 410.61 g/mol, XLogP of 8.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene is sourced from PubChem (CID 143650255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).