ethane;3-heptan-4-yl-2-methylpyridine

C15H27N — CID 143825065

IUPACethane;3-heptan-4-yl-2-methylpyridine
SMILESCC.CCCC(CCC)c1cccnc1C
InChIInChI=1S/C13H21N.C2H6/c1-4-7-12(8-5-2)13-9-6-10-14-11(13)3;1-2/h6,9-10,12H,4-5,7-8H2,1-3H3;1-2H3
InChIKeyFXTWUHFQBZTUKQ-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.10
Rot. Bonds5

About ethane;3-heptan-4-yl-2-methylpyridine

ethane;3-heptan-4-yl-2-methylpyridine (PubChem CID 143825065) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;3-heptan-4-yl-2-methylpyridine.

Molecular Properties

Compound Nameethane;3-heptan-4-yl-2-methylpyridine
PubChem CID143825065
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;3-heptan-4-yl-2-methylpyridine
SMILESCC.CCCC(CCC)c1cccnc1C
InChIInChI=1S/C13H21N.C2H6/c1-4-7-12(8-5-2)13-9-6-10-14-11(13)3;1-2/h6,9-10,12H,4-5,7-8H2,1-3H3;1-2H3
InChIKeyFXTWUHFQBZTUKQ-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hexan-3-yl-2-methylpyridine
CID 143825062
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768

Frequently Asked Questions

What is the IUPAC name of ethane;3-heptan-4-yl-2-methylpyridine?
The IUPAC name of ethane;3-heptan-4-yl-2-methylpyridine (CID 143825065) is ethane;3-heptan-4-yl-2-methylpyridine.
What is the SMILES notation for ethane;3-heptan-4-yl-2-methylpyridine?
The canonical SMILES for ethane;3-heptan-4-yl-2-methylpyridine is CC.CCCC(CCC)c1cccnc1C.
What is the InChIKey of ethane;3-heptan-4-yl-2-methylpyridine?
The InChIKey is FXTWUHFQBZTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C2H6/c1-4-7-12(8-5-2)13-9-6-10-14-11(13)3;1-2/h6,9-10,12H,4-5,7-8H2,1-3H3;1-2H3.
What are the key properties of ethane;3-heptan-4-yl-2-methylpyridine?
ethane;3-heptan-4-yl-2-methylpyridine has a molecular weight of 221.39 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-heptan-4-yl-2-methylpyridine is sourced from PubChem (CID 143825065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).