N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C11H22N2 — CID 43752335

IUPACN-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCC(C)NC1CCN2CCCC12
InChIInChI=1S/C11H22N2/c1-3-9(2)12-10-6-8-13-7-4-5-11(10)13/h9-12H,3-8H2,1-2H3
InChIKeyFCCHHLOCNKPONT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds3

About N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752335) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752335
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCC(C)NC1CCN2CCCC12
InChIInChI=1S/C11H22N2/c1-3-9(2)12-10-6-8-13-7-4-5-11(10)13/h9-12H,3-8H2,1-2H3
InChIKeyFCCHHLOCNKPONT-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752335) is N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCC(C)NC1CCN2CCCC12.
What is the InChIKey of N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is FCCHHLOCNKPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-9(2)12-10-6-8-13-7-4-5-11(10)13/h9-12H,3-8H2,1-2H3.
What are the key properties of N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-butan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.61, 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-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).