(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine

C12H20N2O — CID 93316993

IUPAC(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
SMILESCOc1ncccc1CN[C@@H](C)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)10(3)14-8-11-6-5-7-13-12(11)15-4/h5-7,9-10,14H,8H2,1-4H3/t10-/m0/s1
InChIKeyWGNHOUVVDHCDAM-JTQLQIEISA-N
MW208.30 g/mol
LogP2.22
Rot. Bonds5

About (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine (PubChem CID 93316993) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
PubChem CID93316993
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
SMILESCOc1ncccc1CN[C@@H](C)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)10(3)14-8-11-6-5-7-13-12(11)15-4/h5-7,9-10,14H,8H2,1-4H3/t10-/m0/s1
InChIKeyWGNHOUVVDHCDAM-JTQLQIEISA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 115614185
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
CID 82714723
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine (CID 93316993) is (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine is COc1ncccc1CN[C@@H](C)C(C)C.
What is the InChIKey of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The InChIKey is WGNHOUVVDHCDAM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)10(3)14-8-11-6-5-7-13-12(11)15-4/h5-7,9-10,14H,8H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine has a molecular weight of 208.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 93316993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).