3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine

C14H24N2O2 — CID 115709816

IUPAC3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCc1cccnc1OC(C)C
InChIInChI=1S/C14H24N2O2/c1-10(2)18-14-13(7-6-8-15-14)9-16-11(3)12(4)17-5/h6-8,10-12,16H,9H2,1-5H3
InChIKeyWOIVRULFAFHCDS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.38
Rot. Bonds7

About 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine

3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine (PubChem CID 115709816) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
PubChem CID115709816
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCc1cccnc1OC(C)C
InChIInChI=1S/C14H24N2O2/c1-10(2)18-14-13(7-6-8-15-14)9-16-11(3)12(4)17-5/h6-8,10-12,16H,9H2,1-5H3
InChIKeyWOIVRULFAFHCDS-UHFFFAOYSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
CID 104581823
1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine (CID 115709816) is 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine is COC(C)C(C)NCc1cccnc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine?
The InChIKey is WOIVRULFAFHCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)18-14-13(7-6-8-15-14)9-16-11(3)12(4)17-5/h6-8,10-12,16H,9H2,1-5H3.
What are the key properties of 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine?
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 115709816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).