2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine

C13H22N2 — CID 103460442

IUPAC2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccncc1
InChIInChI=1S/C13H22N2/c1-5-13(3,4)10-15-11(2)12-6-8-14-9-7-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyADQVMAFMFOBOCH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds5

About 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine

2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine (PubChem CID 103460442) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
PubChem CID103460442
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccncc1
InChIInChI=1S/C13H22N2/c1-5-13(3,4)10-15-11(2)12-6-8-14-9-7-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyADQVMAFMFOBOCH-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115664278
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460838
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 29054019

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine (CID 103460442) is 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine is CCC(C)(C)CNC(C)c1ccncc1.
What is the InChIKey of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
The InChIKey is ADQVMAFMFOBOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-13(3,4)10-15-11(2)12-6-8-14-9-7-12/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 103460442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).