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

C14H31N3 — CID 81465190

IUPAC1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(CN1CC(C)C(N(C)C)C1)C(C)C
InChIInChI=1S/C14H31N3/c1-7-15-13(11(2)3)9-17-8-12(4)14(10-17)16(5)6/h11-15H,7-10H2,1-6H3
InChIKeyORLQNWUEHZZAGM-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.50
Rot. Bonds6

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

1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81465190) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81465190
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(CN1CC(C)C(N(C)C)C1)C(C)C
InChIInChI=1S/C14H31N3/c1-7-15-13(11(2)3)9-17-8-12(4)14(10-17)16(5)6/h11-15H,7-10H2,1-6H3
InChIKeyORLQNWUEHZZAGM-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81465190) is 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNC(CN1CC(C)C(N(C)C)C1)C(C)C.
What is the InChIKey of 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is ORLQNWUEHZZAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-7-15-13(11(2)3)9-17-8-12(4)14(10-17)16(5)6/h11-15H,7-10H2,1-6H3.
What are the key properties of 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81465190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).