N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine

C12H25N3 — CID 159502003

IUPACN-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C
InChIInChI=1S/C12H25N3/c1-5-14-7-11-6-10(14)8-15(11)9-13-12(2,3)4/h10-11,13H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyLCGFNSIAJSJTJC-QWRGUYRKSA-N
MW211.35 g/mol
LogP1.11
Rot. Bonds3

About N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine

N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 159502003) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID159502003
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C
InChIInChI=1S/C12H25N3/c1-5-14-7-11-6-10(14)8-15(11)9-13-12(2,3)4/h10-11,13H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyLCGFNSIAJSJTJC-QWRGUYRKSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine 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 N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine (CID 159502003) is N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine is CCN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.
What is the InChIKey of N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LCGFNSIAJSJTJC-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-14-7-11-6-10(14)8-15(11)9-13-12(2,3)4/h10-11,13H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 159502003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).