[4-(3-methylbutoxy)-3-pyridinyl]methanamine

C11H18N2O — CID 81255354

IUPAC[4-(3-methylbutoxy)-3-pyridinyl]methanamine
SMILESCC(C)CCOc1ccncc1CN
InChIInChI=1S/C11H18N2O/c1-9(2)4-6-14-11-3-5-13-8-10(11)7-12/h3,5,8-9H,4,6-7,12H2,1-2H3
InChIKeyKVHDFPZVABHTAK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.97
Rot. Bonds5

About [4-(3-methylbutoxy)-3-pyridinyl]methanamine

[4-(3-methylbutoxy)-3-pyridinyl]methanamine (PubChem CID 81255354) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [4-(3-methylbutoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-methylbutoxy)-3-pyridinyl]methanamine
PubChem CID81255354
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[4-(3-methylbutoxy)-3-pyridinyl]methanamine
SMILESCC(C)CCOc1ccncc1CN
InChIInChI=1S/C11H18N2O/c1-9(2)4-6-14-11-3-5-13-8-10(11)7-12/h3,5,8-9H,4,6-7,12H2,1-2H3
InChIKeyKVHDFPZVABHTAK-UHFFFAOYSA-N
XLogP1.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
CID 132587694
[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
CID 132587623
[4-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanol
CID 81237043
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
CID 81253366
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
4-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106446734
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-(3-methylbutoxy)-3-pyridinyl]methanamine (CID 81255354) is [4-(3-methylbutoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-methylbutoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3-methylbutoxy)-3-pyridinyl]methanamine is CC(C)CCOc1ccncc1CN.
What is the InChIKey of [4-(3-methylbutoxy)-3-pyridinyl]methanamine?
The InChIKey is KVHDFPZVABHTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)4-6-14-11-3-5-13-8-10(11)7-12/h3,5,8-9H,4,6-7,12H2,1-2H3.
What are the key properties of [4-(3-methylbutoxy)-3-pyridinyl]methanamine?
[4-(3-methylbutoxy)-3-pyridinyl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81255354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).