N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine

C23H45NSi — CID 162279509

IUPACN-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine
SMILESCC(C)(C)N(C(C)(C)C)[Si](C)(C)C1CCC2CC3CCCCC3CC21
InChIInChI=1S/C23H45NSi/c1-22(2,3)24(23(4,5)6)25(7,8)21-14-13-19-15-17-11-9-10-12-18(17)16-20(19)21/h17-21H,9-16H2,1-8H3
InChIKeyKJBFMSGISDTXIO-UHFFFAOYSA-N
MW363.71 g/mol
LogP7.09
Rot. Bonds2

About N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine

N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine (PubChem CID 162279509) has the molecular formula C23H45NSi and a molecular weight of 363.71 g/mol. Its IUPAC name is N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine
PubChem CID162279509
Molecular FormulaC23H45NSi
Molecular Weight363.71 g/mol
Exact Mass363.33
IUPAC NameN-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine
SMILESCC(C)(C)N(C(C)(C)C)[Si](C)(C)C1CCC2CC3CCCCC3CC21
InChIInChI=1S/C23H45NSi/c1-22(2,3)24(23(4,5)6)25(7,8)21-14-13-19-15-17-11-9-10-12-18(17)16-20(19)21/h17-21H,9-16H2,1-8H3
InChIKeyKJBFMSGISDTXIO-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.71
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine?
The IUPAC name of N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine (CID 162279509) is N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine.
What is the SMILES notation for N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine?
The canonical SMILES for N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine is CC(C)(C)N(C(C)(C)C)[Si](C)(C)C1CCC2CC3CCCCC3CC21.
What is the InChIKey of N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine?
The InChIKey is KJBFMSGISDTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NSi/c1-22(2,3)24(23(4,5)6)25(7,8)21-14-13-19-15-17-11-9-10-12-18(17)16-20(19)21/h17-21H,9-16H2,1-8H3.
What are the key properties of N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine?
N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine has a molecular weight of 363.71 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine is sourced from PubChem (CID 162279509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).