ethane;3-methyl-1-propan-2-ylpyrrolidine

C12H29N — CID 156888189

IUPACethane;3-methyl-1-propan-2-ylpyrrolidine
SMILESCC.CC.CC1CCN(C(C)C)C1
InChIInChI=1S/C8H17N.2C2H6/c1-7(2)9-5-4-8(3)6-9;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyXANBUEWBSNWHPC-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.79
Rot. Bonds1

About ethane;3-methyl-1-propan-2-ylpyrrolidine

ethane;3-methyl-1-propan-2-ylpyrrolidine (PubChem CID 156888189) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;3-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-1-propan-2-ylpyrrolidine
PubChem CID156888189
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;3-methyl-1-propan-2-ylpyrrolidine
SMILESCC.CC.CC1CCN(C(C)C)C1
InChIInChI=1S/C8H17N.2C2H6/c1-7(2)9-5-4-8(3)6-9;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyXANBUEWBSNWHPC-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;4-methyl-1-propan-2-ylazepane
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(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
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3-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 61224022
7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
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(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
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2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
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(3S)-1-propan-2-ylpyrrolidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;3-methyl-1-propan-2-ylpyrrolidine (CID 156888189) is ethane;3-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;3-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;3-methyl-1-propan-2-ylpyrrolidine is CC.CC.CC1CCN(C(C)C)C1.
What is the InChIKey of ethane;3-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is XANBUEWBSNWHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C2H6/c1-7(2)9-5-4-8(3)6-9;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1-propan-2-ylpyrrolidine?
ethane;3-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 187.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 156888189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).