2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine

C14H28N2 — CID 123740297

IUPAC2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCC(C)(C)C1CC2CC(N)CC(C)(C)N2C1
InChIInChI=1S/C14H28N2/c1-13(2,3)10-6-12-7-11(15)8-14(4,5)16(12)9-10/h10-12H,6-9,15H2,1-5H3
InChIKeyLSEVEWKJFSGNCC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds

About 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine

2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine (PubChem CID 123740297) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
PubChem CID123740297
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCC(C)(C)C1CC2CC(N)CC(C)(C)N2C1
InChIInChI=1S/C14H28N2/c1-13(2,3)10-6-12-7-11(15)8-14(4,5)16(12)9-10/h10-12H,6-9,15H2,1-5H3
InChIKeyLSEVEWKJFSGNCC-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The IUPAC name of 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine (CID 123740297) is 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine.
What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The canonical SMILES for 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine is CC(C)(C)C1CC2CC(N)CC(C)(C)N2C1.
What is the InChIKey of 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The InChIKey is LSEVEWKJFSGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)10-6-12-7-11(15)8-14(4,5)16(12)9-10/h10-12H,6-9,15H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine is sourced from PubChem (CID 123740297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).