(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane

C11H20N2 — CID 89142304

IUPAC(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1C[C@@H]2C[C@H]1CN2CC1CC1
InChIInChI=1S/C11H20N2/c1-2-12-7-11-5-10(12)8-13(11)6-9-3-4-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyRQKURGRPOJXVNN-QWRGUYRKSA-N
MW180.29 g/mol
LogP1.17
Rot. Bonds3

About (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 89142304) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID89142304
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1C[C@@H]2C[C@H]1CN2CC1CC1
InChIInChI=1S/C11H20N2/c1-2-12-7-11-5-10(12)8-13(11)6-9-3-4-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyRQKURGRPOJXVNN-QWRGUYRKSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane (CID 89142304) is (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane is CCN1C[C@@H]2C[C@H]1CN2CC1CC1.
What is the InChIKey of (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RQKURGRPOJXVNN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-12-7-11-5-10(12)8-13(11)6-9-3-4-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-(cyclopropylmethyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 89142304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).