N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine

C12H20N2O — CID 105074964

IUPACN-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1OCCC(C)C
InChIInChI=1S/C12H20N2O/c1-10(2)5-7-15-12-9-14-6-4-11(12)8-13-3/h4,6,9-10,13H,5,7-8H2,1-3H3
InChIKeyFXJFLNHUUCZJAQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.23
Rot. Bonds6

About N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine

N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine (PubChem CID 105074964) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
PubChem CID105074964
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1OCCC(C)C
InChIInChI=1S/C12H20N2O/c1-10(2)5-7-15-12-9-14-6-4-11(12)8-13-3/h4,6,9-10,13H,5,7-8H2,1-3H3
InChIKeyFXJFLNHUUCZJAQ-UHFFFAOYSA-N
XLogP2.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
CID 105075104
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
N-methyl-1-[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81254987
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667621
N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
CID 103285372

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine (CID 105074964) is N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine is CNCc1ccncc1OCCC(C)C.
What is the InChIKey of N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine?
The InChIKey is FXJFLNHUUCZJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)5-7-15-12-9-14-6-4-11(12)8-13-3/h4,6,9-10,13H,5,7-8H2,1-3H3.
What are the key properties of N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine?
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 105074964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).