2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine

C17H29N — CID 66897884

IUPAC2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine
SMILESCC1CC2(C(C)CC23C(C)CC32CC2C)C1(C)N
InChIInChI=1S/C17H29N/c1-10-8-16(14(10,5)18)13(4)9-17(16)12(3)7-15(17)6-11(15)2/h10-13H,6-9,18H2,1-5H3
InChIKeyXQSCEFRLKXZRPL-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.82
Rot. Bonds

About 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine

2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine (PubChem CID 66897884) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine.

Molecular Properties

Compound Name2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine
PubChem CID66897884
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine
SMILESCC1CC2(C(C)CC23C(C)CC32CC2C)C1(C)N
InChIInChI=1S/C17H29N/c1-10-8-16(14(10,5)18)13(4)9-17(16)12(3)7-15(17)6-11(15)2/h10-13H,6-9,18H2,1-5H3
InChIKeyXQSCEFRLKXZRPL-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine?
The IUPAC name of 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine (CID 66897884) is 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine.
What is the SMILES notation for 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine?
The canonical SMILES for 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine is CC1CC2(C(C)CC23C(C)CC32CC2C)C1(C)N.
What is the InChIKey of 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine?
The InChIKey is XQSCEFRLKXZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-10-8-16(14(10,5)18)13(4)9-17(16)12(3)7-15(17)6-11(15)2/h10-13H,6-9,18H2,1-5H3.
What are the key properties of 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine?
2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine has a molecular weight of 247.43 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,9,11-pentamethyltrispiro[2.0.0.35.24.23]dodecan-6-amine is sourced from PubChem (CID 66897884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).