ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine

C16H30N2 — CID 170578415

IUPACethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
SMILESCC.CC.CCC1CCN(c2cc(C)ccn2)C1
InChIInChI=1S/C12H18N2.2C2H6/c1-3-11-5-7-14(9-11)12-8-10(2)4-6-13-12;2*1-2/h4,6,8,11H,3,5,7,9H2,1-2H3;2*1-2H3
InChIKeyICWUVEBFVSELLM-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.68
Rot. Bonds2

About ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine

ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine (PubChem CID 170578415) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine.

Molecular Properties

Compound Nameethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
PubChem CID170578415
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Nameethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
SMILESCC.CC.CCC1CCN(c2cc(C)ccn2)C1
InChIInChI=1S/C12H18N2.2C2H6/c1-3-11-5-7-14(9-11)12-8-10(2)4-6-13-12;2*1-2/h4,6,8,11H,3,5,7,9H2,1-2H3;2*1-2H3
InChIKeyICWUVEBFVSELLM-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
CID 22064868
3-methyl-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 79868133
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
CID 171993927
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
N-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-amine
CID 62547429

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine?
The IUPAC name of ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine (CID 170578415) is ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine.
What is the SMILES notation for ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine?
The canonical SMILES for ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine is CC.CC.CCC1CCN(c2cc(C)ccn2)C1.
What is the InChIKey of ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine?
The InChIKey is ICWUVEBFVSELLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2C2H6/c1-3-11-5-7-14(9-11)12-8-10(2)4-6-13-12;2*1-2/h4,6,8,11H,3,5,7,9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine?
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine has a molecular weight of 250.43 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine is sourced from PubChem (CID 170578415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).