2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine

C14H31N3 — CID 64708264

IUPAC2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-5-15-13(2)12-14(3)16(4)10-11-17-8-6-7-9-17/h13-15H,5-12H2,1-4H3
InChIKeyBSLNNDLGTCMZAZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds8

About 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine (PubChem CID 64708264) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
PubChem CID64708264
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-5-15-13(2)12-14(3)16(4)10-11-17-8-6-7-9-17/h13-15H,5-12H2,1-4H3
InChIKeyBSLNNDLGTCMZAZ-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine (CID 64708264) is 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine is CCNC(C)CC(C)N(C)CCN1CCCC1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
The InChIKey is BSLNNDLGTCMZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-15-13(2)12-14(3)16(4)10-11-17-8-6-7-9-17/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine is sourced from PubChem (CID 64708264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).