N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine

C13H22N2O — CID 82732422

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
SMILESCCc1cccnc1CNC(CC)COC
InChIInChI=1S/C13H22N2O/c1-4-11-7-6-8-14-13(11)9-15-12(5-2)10-16-3/h6-8,12,15H,4-5,9-10H2,1-3H3
InChIKeyHFICGKKFIDTLCD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds7

About N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine

N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine (PubChem CID 82732422) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
PubChem CID82732422
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
SMILESCCc1cccnc1CNC(CC)COC
InChIInChI=1S/C13H22N2O/c1-4-11-7-6-8-14-13(11)9-15-12(5-2)10-16-3/h6-8,12,15H,4-5,9-10H2,1-3H3
InChIKeyHFICGKKFIDTLCD-UHFFFAOYSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
2,3-diethylpyridine
CID 14747123
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
CID 66419443
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 82733612
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732745

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine (CID 82732422) is N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine is CCc1cccnc1CNC(CC)COC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine?
The InChIKey is HFICGKKFIDTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11-7-6-8-14-13(11)9-15-12(5-2)10-16-3/h6-8,12,15H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine is sourced from PubChem (CID 82732422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).