1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine

C35H90N2 — CID 159350660

IUPAC1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
SMILESC.C.C.C.C.C1CCCC1.CC.CC.CC(C)(C)N1CCCC1.CC(C)C.CC(C)C.CN1CCCC1
InChIInChI=1S/C8H17N.C5H11N.C5H10.2C4H10.2C2H6.5CH4/c1-8(2,3)9-6-4-5-7-9;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-4(2)3;2*1-2;;;;;/h4-7H2,1-3H3;2-5H2,1H3;1-5H2;2*4H,1-3H3;2*1-2H3;5*1H4
InChIKeyLHGZAEAMZHFEQF-UHFFFAOYSA-N
MW539.12 g/mol
LogP13.10
Rot. Bonds

About 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine

1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine (PubChem CID 159350660) has the molecular formula C35H90N2 and a molecular weight of 539.12 g/mol. Its IUPAC name is 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
PubChem CID159350660
Molecular FormulaC35H90N2
Molecular Weight539.12 g/mol
Exact Mass538.71
IUPAC Name1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
SMILESC.C.C.C.C.C1CCCC1.CC.CC.CC(C)(C)N1CCCC1.CC(C)C.CC(C)C.CN1CCCC1
InChIInChI=1S/C8H17N.C5H11N.C5H10.2C4H10.2C2H6.5CH4/c1-8(2,3)9-6-4-5-7-9;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-4(2)3;2*1-2;;;;;/h4-7H2,1-3H3;2-5H2,1H3;1-5H2;2*4H,1-3H3;2*1-2H3;5*1H4
InChIKeyLHGZAEAMZHFEQF-UHFFFAOYSA-N
XLogP13.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.12
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156749865
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CID 158450868
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
azane;ethane;methane;1-methylpiperidine
CID 159571038
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
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CID 161378363

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine?
The IUPAC name of 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine (CID 159350660) is 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine.
What is the SMILES notation for 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine?
The canonical SMILES for 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine is C.C.C.C.C.C1CCCC1.CC.CC.CC(C)(C)N1CCCC1.CC(C)C.CC(C)C.CN1CCCC1.
What is the InChIKey of 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine?
The InChIKey is LHGZAEAMZHFEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H11N.C5H10.2C4H10.2C2H6.5CH4/c1-8(2,3)9-6-4-5-7-9;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-4(2)3;2*1-2;;;;;/h4-7H2,1-3H3;2-5H2,1H3;1-5H2;2*4H,1-3H3;2*1-2H3;5*1H4.
What are the key properties of 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine?
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine has a molecular weight of 539.12 g/mol, XLogP of 13.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine is sourced from PubChem (CID 159350660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).