N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine

C38H61NSi — CID 162290230

IUPACN-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine
SMILESCCCCC1(CCCC)C2=CC3C(C=C2c2ccc(C(C)(C)C)cc21)CCC3[SiH2]N(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C38H61NSi/c1-9-11-22-38(23-12-10-2)33-25-28(36(3,4)5)19-20-30(33)32-24-27-18-21-35(31(27)26-34(32)38)40-39(37(6,7)8)29-16-14-13-15-17-29/h19-20,24-27,29,31,35H,9-18,21-23,40H2,1-8H3
InChIKeyJEERNELEEVWIBI-UHFFFAOYSA-N
MW560.00 g/mol
LogP10.27
Rot. Bonds9

About N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine

N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine (PubChem CID 162290230) has the molecular formula C38H61NSi and a molecular weight of 560.00 g/mol. Its IUPAC name is N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine.

Molecular Properties

Compound NameN-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine
PubChem CID162290230
Molecular FormulaC38H61NSi
Molecular Weight560.00 g/mol
Exact Mass559.46
IUPAC NameN-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine
SMILESCCCCC1(CCCC)C2=CC3C(C=C2c2ccc(C(C)(C)C)cc21)CCC3[SiH2]N(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C38H61NSi/c1-9-11-22-38(23-12-10-2)33-25-28(36(3,4)5)19-20-30(33)32-24-27-18-21-35(31(27)26-34(32)38)40-39(37(6,7)8)29-16-14-13-15-17-29/h19-20,24-27,29,31,35H,9-18,21-23,40H2,1-8H3
InChIKeyJEERNELEEVWIBI-UHFFFAOYSA-N
XLogP10.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.00
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?
The IUPAC name of N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine (CID 162290230) is N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine.
What is the SMILES notation for N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?
The canonical SMILES for N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine is CCCCC1(CCCC)C2=CC3C(C=C2c2ccc(C(C)(C)C)cc21)CCC3[SiH2]N(C1CCCCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?
The InChIKey is JEERNELEEVWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H61NSi/c1-9-11-22-38(23-12-10-2)33-25-28(36(3,4)5)19-20-30(33)32-24-27-18-21-35(31(27)26-34(32)38)40-39(37(6,7)8)29-16-14-13-15-17-29/h19-20,24-27,29,31,35H,9-18,21-23,40H2,1-8H3.
What are the key properties of N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?
N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine has a molecular weight of 560.00 g/mol, XLogP of 10.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine is sourced from PubChem (CID 162290230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).