N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine

C12H26N2 — CID 18723540

IUPACN-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCC1CN(C)CC1CN(CC)CC
InChIInChI=1S/C12H26N2/c1-5-11-8-13(4)9-12(11)10-14(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyASSPCNCUJZBDHT-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.92
Rot. Bonds5

About N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine

N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 18723540) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID18723540
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCC1CN(C)CC1CN(CC)CC
InChIInChI=1S/C12H26N2/c1-5-11-8-13(4)9-12(11)10-14(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyASSPCNCUJZBDHT-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine (CID 18723540) is N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine is CCC1CN(C)CC1CN(CC)CC.
What is the InChIKey of N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is ASSPCNCUJZBDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11-8-13(4)9-12(11)10-14(6-2)7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine?
N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 18723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).