4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile

C27H43N3Si — CID 19096255

IUPAC4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile
SMILESCCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C#N)c(c23)C1
InChIInChI=1S/C27H43N3Si/c1-9-13-29(14-10-2)24-15-23-18-30(31(19(3)4,20(5)6)21(7)8)26-12-11-22(17-28)25(16-24)27(23)26/h11-12,18-21,24H,9-10,13-16H2,1-8H3
InChIKeyWAPSHNVXAKRBFD-UHFFFAOYSA-N
MW437.75 g/mol
LogP7.13
Rot. Bonds9

About 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile

4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile (PubChem CID 19096255) has the molecular formula C27H43N3Si and a molecular weight of 437.75 g/mol. Its IUPAC name is 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile.

Molecular Properties

Compound Name4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile
PubChem CID19096255
Molecular FormulaC27H43N3Si
Molecular Weight437.75 g/mol
Exact Mass437.32
IUPAC Name4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile
SMILESCCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C#N)c(c23)C1
InChIInChI=1S/C27H43N3Si/c1-9-13-29(14-10-2)24-15-23-18-30(31(19(3)4,20(5)6)21(7)8)26-12-11-22(17-28)25(16-24)27(23)26/h11-12,18-21,24H,9-10,13-16H2,1-8H3
InChIKeyWAPSHNVXAKRBFD-UHFFFAOYSA-N
XLogP7.13
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine
CID 11455931
1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone
CID 19750803
1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one
CID 19096258
10-(dipropylamino)-2,3-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraene-7-carbonitrile
CID 15228139
7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 54208164
(2aS,4R)-4-(dipropylamino)-1-trityl-2a,3,4,5-tetrahydro-2H-benzo[cd]indole-6-carbonitrile
CID 18652844
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198
4-[amino-[6-[amino-(4-cyanophenyl)sulfonylmethyl]-2-(dipropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]sulfonylbenzonitrile
CID 70210147
4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
CID 95172612
(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile
CID 92980675
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile?
The IUPAC name of 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile (CID 19096255) is 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile.
What is the SMILES notation for 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile?
The canonical SMILES for 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile is CCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C#N)c(c23)C1.
What is the InChIKey of 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile?
The InChIKey is WAPSHNVXAKRBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3Si/c1-9-13-29(14-10-2)24-15-23-18-30(31(19(3)4,20(5)6)21(7)8)26-12-11-22(17-28)25(16-24)27(23)26/h11-12,18-21,24H,9-10,13-16H2,1-8H3.
What are the key properties of 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile?
4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile has a molecular weight of 437.75 g/mol, XLogP of 7.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile is sourced from PubChem (CID 19096255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).