(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine

C12H20N2O — CID 102980142

IUPAC(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine
SMILESCCCC(C)Oc1nccc(C)c1CN
InChIInChI=1S/C12H20N2O/c1-4-5-10(3)15-12-11(8-13)9(2)6-7-14-12/h6-7,10H,4-5,8,13H2,1-3H3
InChIKeyMWZDYLZYEUVCBW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.42
Rot. Bonds5

About (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine

(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 102980142) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine
PubChem CID102980142
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine
SMILESCCCC(C)Oc1nccc(C)c1CN
InChIInChI=1S/C12H20N2O/c1-4-5-10(3)15-12-11(8-13)9(2)6-7-14-12/h6-7,10H,4-5,8,13H2,1-3H3
InChIKeyMWZDYLZYEUVCBW-UHFFFAOYSA-N
XLogP2.42
TPSA48.14 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4-methyl-3-pyridinyl)methanamine
CID 78992169
5-ethyl-6-pentan-2-yloxypyrimidin-4-amine
CID 102989268
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
CID 107722443
(6-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980166
3-pentan-2-yloxypyrazine-2-carboximidamide
CID 102982106
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
4-pentan-2-yloxypyridine-2-carbothioamide
CID 102981815
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
(2-bromo-6-pentan-2-yloxyphenyl)methanamine
CID 102980133
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052
2-pentan-2-yloxypyridine-4-carbothioamide
CID 102981810

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine (CID 102980142) is (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine is CCCC(C)Oc1nccc(C)c1CN.
What is the InChIKey of (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is MWZDYLZYEUVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-10(3)15-12-11(8-13)9(2)6-7-14-12/h6-7,10H,4-5,8,13H2,1-3H3.
What are the key properties of (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine?
(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 208.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 102980142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).