1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine

C16H33N — CID 130280757

IUPAC1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine
SMILESCC(C)C(C)C(C)C(C)(C(C)C)N1CCCC1
InChIInChI=1S/C16H33N/c1-12(2)14(5)15(6)16(7,13(3)4)17-10-8-9-11-17/h12-15H,8-11H2,1-7H3
InChIKeyVLJPMYQDMGQHMW-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.43
Rot. Bonds5

About 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine

1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine (PubChem CID 130280757) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine
PubChem CID130280757
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine
SMILESCC(C)C(C)C(C)C(C)(C(C)C)N1CCCC1
InChIInChI=1S/C16H33N/c1-12(2)14(5)15(6)16(7,13(3)4)17-10-8-9-11-17/h12-15H,8-11H2,1-7H3
InChIKeyVLJPMYQDMGQHMW-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-piperidin-1-ylbutan-2-amine
CID 70117751
azetidine;1-tert-butylpyrrolidine;2-methylpropane
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1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
CID 129260340
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
CID 58998116
CID 58998116
1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
2,3-dimethyl-3-pyrrolidin-1-ylbutanal
CID 175610716
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate
CID 20714215
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine?
The IUPAC name of 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine (CID 130280757) is 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine is CC(C)C(C)C(C)C(C)(C(C)C)N1CCCC1.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine?
The InChIKey is VLJPMYQDMGQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)14(5)15(6)16(7,13(3)4)17-10-8-9-11-17/h12-15H,8-11H2,1-7H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine?
1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine has a molecular weight of 239.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylheptan-3-yl)pyrrolidine is sourced from PubChem (CID 130280757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).