(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile

C19H25N3 — CID 10379784

IUPAC(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile
SMILESCCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
InChIInChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
InChIKeyODCNQSRYNGLVNW-INIZCTEOSA-N
MW295.43 g/mol
LogP4.02
Rot. Bonds5

About (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile

(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile (PubChem CID 10379784) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile.

Molecular Properties

Compound Name(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile
PubChem CID10379784
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile
SMILESCCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
InChIInChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
InChIKeyODCNQSRYNGLVNW-INIZCTEOSA-N
XLogP4.02
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile?
The IUPAC name of (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile (CID 10379784) is (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile.
What is the SMILES notation for (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile?
The canonical SMILES for (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile is CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1.
What is the InChIKey of (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile?
The InChIKey is ODCNQSRYNGLVNW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile?
(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile has a molecular weight of 295.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile is sourced from PubChem (CID 10379784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).