1-(4-tert-butylpyrrolidin-2-yl)ethenamine

C10H20N2 — CID 138531774

IUPAC1-(4-tert-butylpyrrolidin-2-yl)ethenamine
SMILESC=C(N)C1CC(C(C)(C)C)CN1
InChIInChI=1S/C10H20N2/c1-7(11)9-5-8(6-12-9)10(2,3)4/h8-9,12H,1,5-6,11H2,2-4H3
InChIKeySUCBAULGOZIRCM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.48
Rot. Bonds1

About 1-(4-tert-butylpyrrolidin-2-yl)ethenamine

1-(4-tert-butylpyrrolidin-2-yl)ethenamine (PubChem CID 138531774) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(4-tert-butylpyrrolidin-2-yl)ethenamine.

Molecular Properties

Compound Name1-(4-tert-butylpyrrolidin-2-yl)ethenamine
PubChem CID138531774
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(4-tert-butylpyrrolidin-2-yl)ethenamine
SMILESC=C(N)C1CC(C(C)(C)C)CN1
InChIInChI=1S/C10H20N2/c1-7(11)9-5-8(6-12-9)10(2,3)4/h8-9,12H,1,5-6,11H2,2-4H3
InChIKeySUCBAULGOZIRCM-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpyrrolidin-2-yl)ethenamine?
The IUPAC name of 1-(4-tert-butylpyrrolidin-2-yl)ethenamine (CID 138531774) is 1-(4-tert-butylpyrrolidin-2-yl)ethenamine.
What is the SMILES notation for 1-(4-tert-butylpyrrolidin-2-yl)ethenamine?
The canonical SMILES for 1-(4-tert-butylpyrrolidin-2-yl)ethenamine is C=C(N)C1CC(C(C)(C)C)CN1.
What is the InChIKey of 1-(4-tert-butylpyrrolidin-2-yl)ethenamine?
The InChIKey is SUCBAULGOZIRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(11)9-5-8(6-12-9)10(2,3)4/h8-9,12H,1,5-6,11H2,2-4H3.
What are the key properties of 1-(4-tert-butylpyrrolidin-2-yl)ethenamine?
1-(4-tert-butylpyrrolidin-2-yl)ethenamine has a molecular weight of 168.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpyrrolidin-2-yl)ethenamine is sourced from PubChem (CID 138531774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).