1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane

C21H48N2 — CID 160950375

IUPAC1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
SMILESCC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/C9H19N.C8H17N.2C2H6/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;2*1-2/h4-8H2,1-3H3;4-7H2,1-3H3;2*1-2H3
InChIKeySVRGGHCQKBFTOI-UHFFFAOYSA-N
MW328.63 g/mol
LogP6.20
Rot. Bonds

About 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane

1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane (PubChem CID 160950375) has the molecular formula C21H48N2 and a molecular weight of 328.63 g/mol. Its IUPAC name is 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane.

Molecular Properties

Compound Name1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
PubChem CID160950375
Molecular FormulaC21H48N2
Molecular Weight328.63 g/mol
Exact Mass328.38
IUPAC Name1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
SMILESCC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/C9H19N.C8H17N.2C2H6/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;2*1-2/h4-8H2,1-3H3;4-7H2,1-3H3;2*1-2H3
InChIKeySVRGGHCQKBFTOI-UHFFFAOYSA-N
XLogP6.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159358501
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane?
The IUPAC name of 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane (CID 160950375) is 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane.
What is the SMILES notation for 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane?
The canonical SMILES for 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane is CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane?
The InChIKey is SVRGGHCQKBFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17N.2C2H6/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;2*1-2/h4-8H2,1-3H3;4-7H2,1-3H3;2*1-2H3.
What are the key properties of 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane?
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane has a molecular weight of 328.63 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane is sourced from PubChem (CID 160950375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).