(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C11H20N2 — CID 89206158

IUPAC(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2C1CCCC1
InChIInChI=1S/C11H20N2/c1-12-7-11-6-10(12)8-13(11)9-4-2-3-5-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyQCNPFGLWUYTMMN-QWRGUYRKSA-N
MW180.29 g/mol
LogP1.32
Rot. Bonds1

About (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 89206158) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID89206158
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2C1CCCC1
InChIInChI=1S/C11H20N2/c1-12-7-11-6-10(12)8-13(11)9-4-2-3-5-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyQCNPFGLWUYTMMN-QWRGUYRKSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 89206158) is (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CN2C1CCCC1.
What is the InChIKey of (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is QCNPFGLWUYTMMN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-7-11-6-10(12)8-13(11)9-4-2-3-5-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 89206158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).