N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine

C18H18N2 — CID 144914531

IUPACN-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine
SMILESC=C/C=C/Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H18N2/c1-3-5-12-19-14-10-11-18-16(13-14)15-8-6-7-9-17(15)20(18)4-2/h3,5-13,19H,1,4H2,2H3/b12-5+
InChIKeyJFEZPDUXTBTXHD-LFYBBSHMSA-N
MW262.36 g/mol
LogP4.93
Rot. Bonds4

About N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine

N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine (PubChem CID 144914531) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine.

Molecular Properties

Compound NameN-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine
PubChem CID144914531
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine
SMILESC=C/C=C/Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H18N2/c1-3-5-12-19-14-10-11-18-16(13-14)15-8-6-7-9-17(15)20(18)4-2/h3,5-13,19H,1,4H2,2H3/b12-5+
InChIKeyJFEZPDUXTBTXHD-LFYBBSHMSA-N
XLogP4.93
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(dimethylamino)-N-(9-ethylcarbazol-3-yl)penta-2,4-dienamide
CID 142188591
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
9-ethyl-3-tritylcarbazole
CID 91743871
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
9-ethyl-N-[(2-fluorophenyl)methyl]carbazol-3-amine
CID 22664102
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
CID 137419756
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine?
The IUPAC name of N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine (CID 144914531) is N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine.
What is the SMILES notation for N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine?
The canonical SMILES for N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine is C=C/C=C/Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine?
The InChIKey is JFEZPDUXTBTXHD-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-5-12-19-14-10-11-18-16(13-14)15-8-6-7-9-17(15)20(18)4-2/h3,5-13,19H,1,4H2,2H3/b12-5+.
What are the key properties of N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine?
N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine has a molecular weight of 262.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine is sourced from PubChem (CID 144914531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).