N,N,3-trimethylpyrrolidin-3-amine

C7H16N2 — CID 45489883

IUPACN,N,3-trimethylpyrrolidin-3-amine
SMILESCN(C)C1(C)CCNC1
InChIInChI=1S/C7H16N2/c1-7(9(2)3)4-5-8-6-7/h8H,4-6H2,1-3H3
InChIKeyBHGAPHJDUGWGCK-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.30
Rot. Bonds1

About N,N,3-trimethylpyrrolidin-3-amine

N,N,3-trimethylpyrrolidin-3-amine (PubChem CID 45489883) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N,3-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,3-trimethylpyrrolidin-3-amine
PubChem CID45489883
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N,3-trimethylpyrrolidin-3-amine
SMILESCN(C)C1(C)CCNC1
InChIInChI=1S/C7H16N2/c1-7(9(2)3)4-5-8-6-7/h8H,4-6H2,1-3H3
InChIKeyBHGAPHJDUGWGCK-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylpyrrolidin-3-amine?
The IUPAC name of N,N,3-trimethylpyrrolidin-3-amine (CID 45489883) is N,N,3-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N,N,3-trimethylpyrrolidin-3-amine?
The canonical SMILES for N,N,3-trimethylpyrrolidin-3-amine is CN(C)C1(C)CCNC1.
What is the InChIKey of N,N,3-trimethylpyrrolidin-3-amine?
The InChIKey is BHGAPHJDUGWGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(9(2)3)4-5-8-6-7/h8H,4-6H2,1-3H3.
What are the key properties of N,N,3-trimethylpyrrolidin-3-amine?
N,N,3-trimethylpyrrolidin-3-amine has a molecular weight of 128.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 45489883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).