N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine

C12H20N2 — CID 60820218

IUPACN-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccncc1
InChIInChI=1S/C12H20N2/c1-4-14-12(9-10(2)3)11-5-7-13-8-6-11/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyGQKFXRKZSBZFSH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine

N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine (PubChem CID 60820218) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
PubChem CID60820218
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccncc1
InChIInChI=1S/C12H20N2/c1-4-14-12(9-10(2)3)11-5-7-13-8-6-11/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyGQKFXRKZSBZFSH-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

N-ethyl-3-methyl-1-pyridazin-4-ylbutan-1-amine
CID 105082936
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
2-cyclopropyl-N-ethyl-1-pyridin-4-ylethanamine
CID 64906307
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
N-ethyl-2-(furan-2-yl)-1-pyridin-4-ylethanamine
CID 83175492
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine (CID 60820218) is N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine is CCNC(CC(C)C)c1ccncc1.
What is the InChIKey of N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine?
The InChIKey is GQKFXRKZSBZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-14-12(9-10(2)3)11-5-7-13-8-6-11/h5-8,10,12,14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine?
N-ethyl-3-methyl-1-pyridin-4-ylbutan-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 N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 60820218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).