(Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine

C16H20N2O — CID 166183368

IUPAC(Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine
SMILESc1cc2c3c(c1)/C(=N\OCCC1CC1)CCC3CN2
InChIInChI=1S/C16H20N2O/c1-2-13-14(18-19-9-8-11-4-5-11)7-6-12-10-17-15(3-1)16(12)13/h1-3,11-12,17H,4-10H2/b18-14-
InChIKeyQJDLDYNIEIZTIM-JXAWBTAJSA-N
MW256.35 g/mol
LogP3.51
Rot. Bonds4

About (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine

(Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine (PubChem CID 166183368) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine.

Molecular Properties

Compound Name(Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine
PubChem CID166183368
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine
SMILESc1cc2c3c(c1)/C(=N\OCCC1CC1)CCC3CN2
InChIInChI=1S/C16H20N2O/c1-2-13-14(18-19-9-8-11-4-5-11)7-6-12-10-17-15(3-1)16(12)13/h1-3,11-12,17H,4-10H2/b18-14-
InChIKeyQJDLDYNIEIZTIM-JXAWBTAJSA-N
XLogP3.51
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine?
The IUPAC name of (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine (CID 166183368) is (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine.
What is the SMILES notation for (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine?
The canonical SMILES for (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine is c1cc2c3c(c1)/C(=N\OCCC1CC1)CCC3CN2.
What is the InChIKey of (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine?
The InChIKey is QJDLDYNIEIZTIM-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-13-14(18-19-9-8-11-4-5-11)7-6-12-10-17-15(3-1)16(12)13/h1-3,11-12,17H,4-10H2/b18-14-.
What are the key properties of (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine?
(Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine has a molecular weight of 256.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-cyclopropylethoxy)-2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-imine is sourced from PubChem (CID 166183368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).