3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane

C16H37N — CID 170577967

IUPAC3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane
SMILESCC.CC(C)C.CCCCC1(C)CCN(C)C1
InChIInChI=1S/C10H21N.C4H10.C2H6/c1-4-5-6-10(2)7-8-11(3)9-10;1-4(2)3;1-2/h4-9H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyNGMMWOZAOBLXCI-UHFFFAOYSA-N
MW243.48 g/mol
LogP5.21
Rot. Bonds3

About 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane

3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane (PubChem CID 170577967) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane.

Molecular Properties

Compound Name3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane
PubChem CID170577967
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Name3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane
SMILESCC.CC(C)C.CCCCC1(C)CCN(C)C1
InChIInChI=1S/C10H21N.C4H10.C2H6/c1-4-5-6-10(2)7-8-11(3)9-10;1-4(2)3;1-2/h4-9H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyNGMMWOZAOBLXCI-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,3-dimethylpyrrolidin-3-yl)-N-methylethanamine
CID 144987620
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine
CID 162741640
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
1-methyl-1-pentylcyclopropane
CID 524644
1-butyl-2-methyl-2-propylpyrrolidine;ethane
CID 170624322
3,3-diethyl-1-methylpyrrolidine;ethane
CID 177188289
3-butyl-3-methylazetidine;ethane
CID 145389820
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane?
The IUPAC name of 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane (CID 170577967) is 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane.
What is the SMILES notation for 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane?
The canonical SMILES for 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane is CC.CC(C)C.CCCCC1(C)CCN(C)C1.
What is the InChIKey of 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane?
The InChIKey is NGMMWOZAOBLXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C4H10.C2H6/c1-4-5-6-10(2)7-8-11(3)9-10;1-4(2)3;1-2/h4-9H2,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane?
3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane has a molecular weight of 243.48 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,3-dimethylpyrrolidine;ethane;2-methylpropane is sourced from PubChem (CID 170577967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).