3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine

C26H42N2Si — CID 162279171

IUPAC3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
SMILESCN(C)C1CC([Si](C)(c2ccccc2)N(C(C)(C)C)C(C)(C)C)C2C=CC=CC21
InChIInChI=1S/C26H42N2Si/c1-25(2,3)28(26(4,5)6)29(9,20-15-11-10-12-16-20)24-19-23(27(7)8)21-17-13-14-18-22(21)24/h10-18,21-24H,19H2,1-9H3
InChIKeyZMBSZWLCERRPRU-UHFFFAOYSA-N
MW410.72 g/mol
LogP5.43
Rot. Bonds4

About 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine

3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine (PubChem CID 162279171) has the molecular formula C26H42N2Si and a molecular weight of 410.72 g/mol. Its IUPAC name is 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
PubChem CID162279171
Molecular FormulaC26H42N2Si
Molecular Weight410.72 g/mol
Exact Mass410.31
IUPAC Name3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine
SMILESCN(C)C1CC([Si](C)(c2ccccc2)N(C(C)(C)C)C(C)(C)C)C2C=CC=CC21
InChIInChI=1S/C26H42N2Si/c1-25(2,3)28(26(4,5)6)29(9,20-15-11-10-12-16-20)24-19-23(27(7)8)21-17-13-14-18-22(21)24/h10-18,21-24H,19H2,1-9H3
InChIKeyZMBSZWLCERRPRU-UHFFFAOYSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The IUPAC name of 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine (CID 162279171) is 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine.
What is the SMILES notation for 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The canonical SMILES for 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine is CN(C)C1CC([Si](C)(c2ccccc2)N(C(C)(C)C)C(C)(C)C)C2C=CC=CC21.
What is the InChIKey of 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The InChIKey is ZMBSZWLCERRPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2Si/c1-25(2,3)28(26(4,5)6)29(9,20-15-11-10-12-16-20)24-19-23(27(7)8)21-17-13-14-18-22(21)24/h10-18,21-24H,19H2,1-9H3.
What are the key properties of 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine has a molecular weight of 410.72 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ditert-butylamino)-methyl-phenylsilyl]-N,N-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-amine is sourced from PubChem (CID 162279171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).