N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine

C12H20N2 — CID 81312035

IUPACN-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine
SMILESCCNC(C)CCc1ccc(C)cn1
InChIInChI=1S/C12H20N2/c1-4-13-11(3)6-8-12-7-5-10(2)9-14-12/h5,7,9,11,13H,4,6,8H2,1-3H3
InChIKeyMXEKGHCURLLIGK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine

N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine (PubChem CID 81312035) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine
PubChem CID81312035
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine
SMILESCCNC(C)CCc1ccc(C)cn1
InChIInChI=1S/C12H20N2/c1-4-13-11(3)6-8-12-7-5-10(2)9-14-12/h5,7,9,11,13H,4,6,8H2,1-3H3
InChIKeyMXEKGHCURLLIGK-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
CID 158480549
5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
CID 172742279
N-ethyl-3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-amine
CID 66447905
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 80709131
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
CID 115699019
5-methyl-2-(propan-2-yloxymethyl)pyridine
CID 164949259
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine?
The IUPAC name of N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine (CID 81312035) is N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine is CCNC(C)CCc1ccc(C)cn1.
What is the InChIKey of N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine?
The InChIKey is MXEKGHCURLLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-13-11(3)6-8-12-7-5-10(2)9-14-12/h5,7,9,11,13H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine?
N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 81312035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).