N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine

C12H21N3 — CID 107875067

IUPACN'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-5-6-11(14-9-10)15(4)8-7-13/h5-6,9H,7-8,13H2,1-4H3
InChIKeyCKKKSPMNPQCXHF-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.77
Rot. Bonds3

About N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine

N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine (PubChem CID 107875067) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
PubChem CID107875067
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-5-6-11(14-9-10)15(4)8-7-13/h5-6,9H,7-8,13H2,1-4H3
InChIKeyCKKKSPMNPQCXHF-UHFFFAOYSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
CID 107874362
N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107874254
N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
CID 107874273
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 79652291
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
CID 59446206
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107206914
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60922080

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine (CID 107875067) is N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine is CN(CCN)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine?
The InChIKey is CKKKSPMNPQCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)10-5-6-11(14-9-10)15(4)8-7-13/h5-6,9H,7-8,13H2,1-4H3.
What are the key properties of N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine?
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107875067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).