5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine

C20H39N — CID 146610943

IUPAC5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine
SMILESCC1(C)CCCCC2(C)C(CCCC(C)(N)CC1)C2(C)C
InChIInChI=1S/C20H39N/c1-17(2)11-7-8-13-20(6)16(18(20,3)4)10-9-12-19(5,21)15-14-17/h16H,7-15,21H2,1-6H3
InChIKeyBIZBFECEVJMIMA-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.92
Rot. Bonds

About 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine

5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine (PubChem CID 146610943) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine.

Molecular Properties

Compound Name5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine
PubChem CID146610943
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine
SMILESCC1(C)CCCCC2(C)C(CCCC(C)(N)CC1)C2(C)C
InChIInChI=1S/C20H39N/c1-17(2)11-7-8-13-20(6)16(18(20,3)4)10-9-12-19(5,21)15-14-17/h16H,7-15,21H2,1-6H3
InChIKeyBIZBFECEVJMIMA-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine?
The IUPAC name of 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine (CID 146610943) is 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine.
What is the SMILES notation for 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine?
The canonical SMILES for 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine is CC1(C)CCCCC2(C)C(CCCC(C)(N)CC1)C2(C)C.
What is the InChIKey of 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine?
The InChIKey is BIZBFECEVJMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-17(2)11-7-8-13-20(6)16(18(20,3)4)10-9-12-19(5,21)15-14-17/h16H,7-15,21H2,1-6H3.
What are the key properties of 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine?
5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine has a molecular weight of 293.54 g/mol, XLogP of 5.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine is sourced from PubChem (CID 146610943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).