1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine

C12H27N3 — CID 81464849

IUPAC1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(C)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H27N3/c1-6-13-11(3)8-15-7-10(2)12(9-15)14(4)5/h10-13H,6-9H2,1-5H3
InChIKeyKMEMIWQSKBUNPI-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds5

About 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464849) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464849
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(C)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H27N3/c1-6-13-11(3)8-15-7-10(2)12(9-15)14(4)5/h10-13H,6-9H2,1-5H3
InChIKeyKMEMIWQSKBUNPI-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464849) is 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNC(C)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is KMEMIWQSKBUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-13-11(3)8-15-7-10(2)12(9-15)14(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).