[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine

C17H33N3 — CID 103494845

IUPAC[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CCN3CCCCC32)CC1
InChIInChI=1S/C17H33N3/c1-14(2)15-6-10-20(11-7-15)17(13-18)8-12-19-9-4-3-5-16(17)19/h14-16H,3-13,18H2,1-2H3
InChIKeyIDSAXMNNQHBKBE-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.31
Rot. Bonds3

About [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine

[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine (PubChem CID 103494845) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine.

Molecular Properties

Compound Name[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
PubChem CID103494845
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CCN3CCCCC32)CC1
InChIInChI=1S/C17H33N3/c1-14(2)15-6-10-20(11-7-15)17(13-18)8-12-19-9-4-3-5-16(17)19/h14-16H,3-13,18H2,1-2H3
InChIKeyIDSAXMNNQHBKBE-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
The IUPAC name of [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine (CID 103494845) is [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine.
What is the SMILES notation for [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
The canonical SMILES for [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine is CC(C)C1CCN(C2(CN)CCN3CCCCC32)CC1.
What is the InChIKey of [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
The InChIKey is IDSAXMNNQHBKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-14(2)15-6-10-20(11-7-15)17(13-18)8-12-19-9-4-3-5-16(17)19/h14-16H,3-13,18H2,1-2H3.
What are the key properties of [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine is sourced from PubChem (CID 103494845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).