(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine

C29H52N2SiSn — CID 11455931

IUPAC(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine
SMILESCCCN(CCC)[C@H]1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc([Sn](C)(C)C)c(c23)C1
InChIInChI=1S/C26H43N2Si.3CH3.Sn/c1-9-14-27(15-10-2)24-16-22-12-11-13-25-26(22)23(17-24)18-28(25)29(19(3)4,20(5)6)21(7)8;;;;/h11,13,18-21,24H,9-10,14-17H2,1-8H3;3*1H3;/t24-;;;;/m1..../s1
InChIKeyOACORJVHLZJAKW-YATFKFJDSA-N
MW575.55 g/mol
LogP7.80
Rot. Bonds10

About (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine

(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine (PubChem CID 11455931) has the molecular formula C29H52N2SiSn and a molecular weight of 575.55 g/mol. Its IUPAC name is (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine.

Molecular Properties

Compound Name(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine
PubChem CID11455931
Molecular FormulaC29H52N2SiSn
Molecular Weight575.55 g/mol
Exact Mass576.29
IUPAC Name(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine
SMILESCCCN(CCC)[C@H]1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc([Sn](C)(C)C)c(c23)C1
InChIInChI=1S/C26H43N2Si.3CH3.Sn/c1-9-14-27(15-10-2)24-16-22-12-11-13-25-26(22)23(17-24)18-28(25)29(19(3)4,20(5)6)21(7)8;;;;/h11,13,18-21,24H,9-10,14-17H2,1-8H3;3*1H3;/t24-;;;;/m1..../s1
InChIKeyOACORJVHLZJAKW-YATFKFJDSA-N
XLogP7.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.55
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile
CID 19096255
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
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561
5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 23209354
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
CID 19710217

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine?
The IUPAC name of (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine (CID 11455931) is (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine.
What is the SMILES notation for (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine?
The canonical SMILES for (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine is CCCN(CCC)[C@H]1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc([Sn](C)(C)C)c(c23)C1.
What is the InChIKey of (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine?
The InChIKey is OACORJVHLZJAKW-YATFKFJDSA-N. The full InChI is InChI=1S/C26H43N2Si.3CH3.Sn/c1-9-14-27(15-10-2)24-16-22-12-11-13-25-26(22)23(17-24)18-28(25)29(19(3)4,20(5)6)21(7)8;;;;/h11,13,18-21,24H,9-10,14-17H2,1-8H3;3*1H3;/t24-;;;;/m1..../s1.
What are the key properties of (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine?
(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine has a molecular weight of 575.55 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine is sourced from PubChem (CID 11455931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).