N,1-ditert-butylpyrrolidin-3-amine

C12H26N2 — CID 19819766

IUPACN,1-ditert-butylpyrrolidin-3-amine
SMILESCC(C)(C)NC1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2,3)13-10-7-8-14(9-10)12(4,5)6/h10,13H,7-9H2,1-6H3
InChIKeyJOYYJBFVUJENLL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds1

About N,1-ditert-butylpyrrolidin-3-amine

N,1-ditert-butylpyrrolidin-3-amine (PubChem CID 19819766) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,1-ditert-butylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-ditert-butylpyrrolidin-3-amine
PubChem CID19819766
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,1-ditert-butylpyrrolidin-3-amine
SMILESCC(C)(C)NC1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2,3)13-10-7-8-14(9-10)12(4,5)6/h10,13H,7-9H2,1-6H3
InChIKeyJOYYJBFVUJENLL-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-ditert-butylpyrrolidin-3-amine?
The IUPAC name of N,1-ditert-butylpyrrolidin-3-amine (CID 19819766) is N,1-ditert-butylpyrrolidin-3-amine.
What is the SMILES notation for N,1-ditert-butylpyrrolidin-3-amine?
The canonical SMILES for N,1-ditert-butylpyrrolidin-3-amine is CC(C)(C)NC1CCN(C(C)(C)C)C1.
What is the InChIKey of N,1-ditert-butylpyrrolidin-3-amine?
The InChIKey is JOYYJBFVUJENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)13-10-7-8-14(9-10)12(4,5)6/h10,13H,7-9H2,1-6H3.
What are the key properties of N,1-ditert-butylpyrrolidin-3-amine?
N,1-ditert-butylpyrrolidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-ditert-butylpyrrolidin-3-amine is sourced from PubChem (CID 19819766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).