N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine

C13H23N3 — CID 107445925

IUPACN'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
SMILESC[C@@H](NCCNC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H23N3/c1-11(12-7-5-6-8-15-12)14-9-10-16-13(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyCYPQXCLAVVTKIZ-LLVKDONJSA-N
MW221.35 g/mol
LogP2.12
Rot. Bonds5

About N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine

N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine (PubChem CID 107445925) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
PubChem CID107445925
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
SMILESC[C@@H](NCCNC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H23N3/c1-11(12-7-5-6-8-15-12)14-9-10-16-13(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyCYPQXCLAVVTKIZ-LLVKDONJSA-N
XLogP2.12
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine (CID 107445925) is N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine is C[C@@H](NCCNC(C)(C)C)c1ccccn1.
What is the InChIKey of N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine?
The InChIKey is CYPQXCLAVVTKIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(12-7-5-6-8-15-12)14-9-10-16-13(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine is sourced from PubChem (CID 107445925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).