3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine

C12H20N2 — CID 60647906

IUPAC3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
SMILESCC(C)C(C)NCCc1ccncc1
InChIInChI=1S/C12H20N2/c1-10(2)11(3)14-9-6-12-4-7-13-8-5-12/h4-5,7-8,10-11,14H,6,9H2,1-3H3
InChIKeyVBGGOBZDAJDDQB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.26
Rot. Bonds5

About 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine

3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine (PubChem CID 60647906) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
PubChem CID60647906
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
SMILESCC(C)C(C)NCCc1ccncc1
InChIInChI=1S/C12H20N2/c1-10(2)11(3)14-9-6-12-4-7-13-8-5-12/h4-5,7-8,10-11,14H,6,9H2,1-3H3
InChIKeyVBGGOBZDAJDDQB-UHFFFAOYSA-N
XLogP2.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 28669868
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine (CID 60647906) is 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine is CC(C)C(C)NCCc1ccncc1.
What is the InChIKey of 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
The InChIKey is VBGGOBZDAJDDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)11(3)14-9-6-12-4-7-13-8-5-12/h4-5,7-8,10-11,14H,6,9H2,1-3H3.
What are the key properties of 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine?
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine is sourced from PubChem (CID 60647906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).