ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine

C10H23N — CID 176952918

IUPACethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
SMILESCC.CC(C)[C@H]1CCN(C)C1
InChIInChI=1S/C8H17N.C2H6/c1-7(2)8-4-5-9(3)6-8;1-2/h7-8H,4-6H2,1-3H3;1-2H3/t8-;/m0./s1
InChIKeyDKUNIEVGKRWIJE-QRPNPIFTSA-N
MW157.30 g/mol
LogP2.62
Rot. Bonds1

About ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine

ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 176952918) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
PubChem CID176952918
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
SMILESCC.CC(C)[C@H]1CCN(C)C1
InChIInChI=1S/C8H17N.C2H6/c1-7(2)8-4-5-9(3)6-8;1-2/h7-8H,4-6H2,1-3H3;1-2H3/t8-;/m0./s1
InChIKeyDKUNIEVGKRWIJE-QRPNPIFTSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
CID 143713816
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
CID 58945115
4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 172607002
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 140507743
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
CID 118445298
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine (CID 176952918) is ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine is CC.CC(C)[C@H]1CCN(C)C1.
What is the InChIKey of ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is DKUNIEVGKRWIJE-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-7(2)8-4-5-9(3)6-8;1-2/h7-8H,4-6H2,1-3H3;1-2H3/t8-;/m0./s1.
What are the key properties of ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine?
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 157.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 176952918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).