N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

C16H35N3 — CID 55163819

IUPACN,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3/c1-5-16(6-2,14-17-7-3)15-18(4)12-13-19-10-8-9-11-19/h17H,5-15H2,1-4H3
InChIKeyOAKQUYIVJRGAOH-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds10

About N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (PubChem CID 55163819) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
PubChem CID55163819
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3/c1-5-16(6-2,14-17-7-3)15-18(4)12-13-19-10-8-9-11-19/h17H,5-15H2,1-4H3
InChIKeyOAKQUYIVJRGAOH-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (CID 55163819) is N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is CCNCC(CC)(CC)CN(C)CCN1CCCC1.
What is the InChIKey of N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The InChIKey is OAKQUYIVJRGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-16(6-2,14-17-7-3)15-18(4)12-13-19-10-8-9-11-19/h17H,5-15H2,1-4H3.
What are the key properties of N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 55163819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).