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

C13H23N3 — CID 107874362

IUPACN'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-6-7-12(15-10-11)16(5)9-8-14-4/h6-7,10,14H,8-9H2,1-5H3
InChIKeyBXRXBFWIUUJNDE-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.03
Rot. Bonds4

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

N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 107874362) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID107874362
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-6-7-12(15-10-11)16(5)9-8-14-4/h6-7,10,14H,8-9H2,1-5H3
InChIKeyBXRXBFWIUUJNDE-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62585853
2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
CID 59446206
N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
CID 107874273
2-N-[2-(dimethylamino)ethyl]-2-N,5-N-dimethylpyridine-2,5-diamine
CID 143709884
N,N'-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62593520
5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 114011707
N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62585670
N'-(6-chloropyrazin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 116650849

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine (CID 107874362) is N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is BXRXBFWIUUJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)11-6-7-12(15-10-11)16(5)9-8-14-4/h6-7,10,14H,8-9H2,1-5H3.
What are the key properties of N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine?
N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.03, 4 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,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 107874362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).