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

C13H29N3 — CID 107911291

IUPAC2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCCN(CCN1CCCC1)C(C)(CC)CN
InChIInChI=1S/C13H29N3/c1-4-13(3,12-14)16(5-2)11-10-15-8-6-7-9-15/h4-12,14H2,1-3H3
InChIKeyAAPXQKDYZBVSTI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds7

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

2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (PubChem CID 107911291) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
PubChem CID107911291
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCCN(CCN1CCCC1)C(C)(CC)CN
InChIInChI=1S/C13H29N3/c1-4-13(3,12-14)16(5-2)11-10-15-8-6-7-9-15/h4-12,14H2,1-3H3
InChIKeyAAPXQKDYZBVSTI-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (CID 107911291) is 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is CCN(CCN1CCCC1)C(C)(CC)CN.
What is the InChIKey of 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The InChIKey is AAPXQKDYZBVSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-13(3,12-14)16(5-2)11-10-15-8-6-7-9-15/h4-12,14H2,1-3H3.
What are the key properties of 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 107911291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).