(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine

C11H22N2 — CID 22056632

IUPAC(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine
SMILESCC1(C)C(CN)CCC2CCCN21
InChIInChI=1S/C11H22N2/c1-11(2)9(8-12)5-6-10-4-3-7-13(10)11/h9-10H,3-8,12H2,1-2H3
InChIKeyBTAGUNHFUGOKPS-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds1

About (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine

(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine (PubChem CID 22056632) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine.

Molecular Properties

Compound Name(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine
PubChem CID22056632
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine
SMILESCC1(C)C(CN)CCC2CCCN21
InChIInChI=1S/C11H22N2/c1-11(2)9(8-12)5-6-10-4-3-7-13(10)11/h9-10H,3-8,12H2,1-2H3
InChIKeyBTAGUNHFUGOKPS-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine?
The IUPAC name of (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine (CID 22056632) is (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine.
What is the SMILES notation for (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine?
The canonical SMILES for (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine is CC1(C)C(CN)CCC2CCCN21.
What is the InChIKey of (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine?
The InChIKey is BTAGUNHFUGOKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2)9(8-12)5-6-10-4-3-7-13(10)11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine?
(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl)methanamine is sourced from PubChem (CID 22056632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).