N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine

C15H27N3 — CID 81249414

IUPACN-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(CC)C(C)CC
InChIInChI=1S/C15H27N3/c1-6-13(5)18(8-3)15-9-12(4)17-11-14(15)10-16-7-2/h9,11,13,16H,6-8,10H2,1-5H3
InChIKeyGVZLHUCVKJZPOE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.12
Rot. Bonds7

About N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine

N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine (PubChem CID 81249414) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
PubChem CID81249414
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(CC)C(C)CC
InChIInChI=1S/C15H27N3/c1-6-13(5)18(8-3)15-9-12(4)17-11-14(15)10-16-7-2/h9,11,13,16H,6-8,10H2,1-5H3
InChIKeyGVZLHUCVKJZPOE-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866
2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665343
2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
CID 81249966
N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-2-methylpyridin-4-amine
CID 81247110
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 107401789
N-[(6-methyl-4-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 81253720
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine (CID 81249414) is N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine is CCNCc1cnc(C)cc1N(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
The InChIKey is GVZLHUCVKJZPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-13(5)18(8-3)15-9-12(4)17-11-14(15)10-16-7-2/h9,11,13,16H,6-8,10H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine?
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine is sourced from PubChem (CID 81249414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).