N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine

C12H24N2 — CID 165477844

IUPACN-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine
SMILESCCC(C)NC1CC2CCCCN2C1
InChIInChI=1S/C12H24N2/c1-3-10(2)13-11-8-12-6-4-5-7-14(12)9-11/h10-13H,3-9H2,1-2H3
InChIKeyOQQQXHDOJJQBCT-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds3

About N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine

N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine (PubChem CID 165477844) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine
PubChem CID165477844
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine
SMILESCCC(C)NC1CC2CCCCN2C1
InChIInChI=1S/C12H24N2/c1-3-10(2)13-11-8-12-6-4-5-7-14(12)9-11/h10-13H,3-9H2,1-2H3
InChIKeyOQQQXHDOJJQBCT-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471043
(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine
CID 99851277
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036114
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107
(4R)-4-[[(3S)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852109
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 58450035
1-cyclopentyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 115887460
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-methoxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine
CID 177217356
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)propan-1-amine
CID 83906713
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79618174

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine?
The IUPAC name of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine (CID 165477844) is N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine.
What is the SMILES notation for N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine?
The canonical SMILES for N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine is CCC(C)NC1CC2CCCCN2C1.
What is the InChIKey of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine?
The InChIKey is OQQQXHDOJJQBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-10(2)13-11-8-12-6-4-5-7-14(12)9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine?
N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine is sourced from PubChem (CID 165477844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).