ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine

C10H18N2 — CID 144800365

IUPACethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCC.CNCc1ccncc1C
InChIInChI=1S/C8H12N2.C2H6/c1-7-5-10-4-3-8(7)6-9-2;1-2/h3-5,9H,6H2,1-2H3;1-2H3
InChIKeyJQTSAPKLEZQSOQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds2

About ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine

ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 144800365) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID144800365
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCC.CNCc1ccncc1C
InChIInChI=1S/C8H12N2.C2H6/c1-7-5-10-4-3-8(7)6-9-2;1-2/h3-5,9H,6H2,1-2H3;1-2H3
InChIKeyJQTSAPKLEZQSOQ-UHFFFAOYSA-N
XLogP2.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
CID 114142279
1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine
CID 165467768
N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730
N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
6-N,2,5-trimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702231
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
ethane;3-methyl-4-prop-2-enylpyridine
CID 143260115

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine (CID 144800365) is ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine is CC.CNCc1ccncc1C.
What is the InChIKey of ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is JQTSAPKLEZQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-7-5-10-4-3-8(7)6-9-2;1-2/h3-5,9H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 166.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 144800365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).