ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane

C12H27NO2 — CID 177059822

IUPACethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
SMILESCC.CNC(C)=O.CO[C@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14O.C3H7NO.C2H6/c1-6-3-4-7(5-6)8-2;1-3(5)4-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3,(H,4,5);1-2H3/t6-,7-;;/m0../s1
InChIKeyGJTLSEKPRWDQKB-JFYKYWLVSA-N
MW217.35 g/mol
LogP2.60
Rot. Bonds1

About ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane

ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane (PubChem CID 177059822) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane.

Molecular Properties

Compound Nameethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
PubChem CID177059822
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Nameethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
SMILESCC.CNC(C)=O.CO[C@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14O.C3H7NO.C2H6/c1-6-3-4-7(5-6)8-2;1-3(5)4-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3,(H,4,5);1-2H3/t6-,7-;;/m0../s1
InChIKeyGJTLSEKPRWDQKB-JFYKYWLVSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium
CID 159970528
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
1-(3-methoxycyclopentyl)ethanone
CID 140959253
ethane;3-methoxy-N-methylcyclopentan-1-amine
CID 164585238
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
(3-methylcyclopentyl) 3-methylbut-2-enoate
CID 131176939
2-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114541432
chloromethyl (3-methylcyclopentyl) carbonate
CID 66562167
ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol
CID 172576232
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
The IUPAC name of ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane (CID 177059822) is ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane.
What is the SMILES notation for ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
The canonical SMILES for ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane is CC.CNC(C)=O.CO[C@H]1CC[C@H](C)C1.
What is the InChIKey of ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
The InChIKey is GJTLSEKPRWDQKB-JFYKYWLVSA-N. The full InChI is InChI=1S/C7H14O.C3H7NO.C2H6/c1-6-3-4-7(5-6)8-2;1-3(5)4-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3,(H,4,5);1-2H3/t6-,7-;;/m0../s1.
What are the key properties of ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane has a molecular weight of 217.35 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane is sourced from PubChem (CID 177059822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).