9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine

C32H48N2 — CID 70189840

IUPAC9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNc1cccc2c3ccccc3n(CC)c12
InChIInChI=1S/C32H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-33-30-25-22-24-29-28-23-19-20-26-31(28)34(4-2)32(29)30/h11-12,19-20,22-26,33H,3-10,13-18,21,27H2,1-2H3/b12-11-
InChIKeyOXHJEOQPYMDOMG-QXMHVHEDSA-N
MW460.75 g/mol
LogP10.26
Rot. Bonds18

About 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine

9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine (PubChem CID 70189840) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine.

Molecular Properties

Compound Name9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine
PubChem CID70189840
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC Name9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNc1cccc2c3ccccc3n(CC)c12
InChIInChI=1S/C32H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-33-30-25-22-24-29-28-23-19-20-26-31(28)34(4-2)32(29)30/h11-12,19-20,22-26,33H,3-10,13-18,21,27H2,1-2H3/b12-11-
InChIKeyOXHJEOQPYMDOMG-QXMHVHEDSA-N
XLogP10.26
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-(octadec-9-enylamino)benzoic acid
CID 54408716
2-[(E)-dodec-1-enyl]-1-ethylquinolin-4-one
CID 53248820
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
5-(dodecylamino)naphthalen-1-ol
CID 11438841
9-octylcarbazol-1-ol
CID 160567195
1-bromo-9-ethylcarbazole
CID 19736997
benzene;9-octylcarbazole
CID 175067369
2-(hexadecylamino)phenol
CID 154256819

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine?
The IUPAC name of 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine (CID 70189840) is 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine.
What is the SMILES notation for 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine?
The canonical SMILES for 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine is CCCCCCCC/C=C\CCCCCCCCNc1cccc2c3ccccc3n(CC)c12.
What is the InChIKey of 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine?
The InChIKey is OXHJEOQPYMDOMG-QXMHVHEDSA-N. The full InChI is InChI=1S/C32H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-33-30-25-22-24-29-28-23-19-20-26-31(28)34(4-2)32(29)30/h11-12,19-20,22-26,33H,3-10,13-18,21,27H2,1-2H3/b12-11-.
What are the key properties of 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine?
9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine has a molecular weight of 460.75 g/mol, XLogP of 10.26, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(Z)-octadec-9-enyl]carbazol-1-amine is sourced from PubChem (CID 70189840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).