2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine

C12H20N2 — CID 43202297

IUPAC2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
SMILESCCC(C)CNC(C)c1ccncc1
InChIInChI=1S/C12H20N2/c1-4-10(2)9-14-11(3)12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyMGMZQTXFKDKQOK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.78
Rot. Bonds5

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

2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine (PubChem CID 43202297) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
PubChem CID43202297
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
SMILESCCC(C)CNC(C)c1ccncc1
InChIInChI=1S/C12H20N2/c1-4-10(2)9-14-11(3)12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyMGMZQTXFKDKQOK-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
2-methyl-N-[(1S)-1-phenylethyl]butan-1-amine;(1S)-1-phenylethanamine
CID 167591291
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115896159
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine (CID 43202297) is 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine is CCC(C)CNC(C)c1ccncc1.
What is the InChIKey of 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
The InChIKey is MGMZQTXFKDKQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-10(2)9-14-11(3)12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3.
What are the key properties of 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine?
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 43202297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).