N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine

C11H20N2 — CID 20646155

IUPACN-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine
SMILESCCN(CC)CN1C=C(C)C=CC1
InChIInChI=1S/C11H20N2/c1-4-12(5-2)10-13-8-6-7-11(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyBZIFGLCAVWBMRH-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.06
Rot. Bonds4

About N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine

N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine (PubChem CID 20646155) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine
PubChem CID20646155
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine
SMILESCCN(CC)CN1C=C(C)C=CC1
InChIInChI=1S/C11H20N2/c1-4-12(5-2)10-13-8-6-7-11(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyBZIFGLCAVWBMRH-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
CID 168942576
5-ethenyl-3-fluoro-N-methyl-N,1-di(propan-2-yl)-2H-pyridin-6-amine
CID 172328459
3-Fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine
CID 177033305
1-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-N',N'-diethyl-N,N-dimethylmethanediamine
CID 13484281
1-cyclopenta-2,4-dien-1-ylidene-N,N'-dimethyl-N,N'-di(propan-2-yl)methanediamine
CID 134923505
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-N',N'-di(propan-2-yl)methanediamine
CID 134923776
magnesium;N,N,N',N'-tetramethyl-1-phenylmethanediamine;chloride
CID 11736521
magnesium;N,N,N',N'-tetramethyl-1-phenylmethanediamine;bromide
CID 21696429
1-methyl-5-(2-methylbut-1-enyl)-2H-pyridine
CID 53958287
1-methyl-7-propyl-8aH-imidazo[1,2-a]pyridine
CID 54011869
1-methyl-6-propyl-8aH-imidazo[1,2-a]pyridine
CID 54478970
1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine
CID 70182213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine (CID 20646155) is N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine is CCN(CC)CN1C=C(C)C=CC1.
What is the InChIKey of N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine?
The InChIKey is BZIFGLCAVWBMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-12(5-2)10-13-8-6-7-11(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine?
N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine is sourced from PubChem (CID 20646155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).