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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Related Compounds

2-methyl-2-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 107911288
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163623
1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 107913916
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
CID 64820509
N'-(2-aminoethyl)-N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine
CID 67575896
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
2-tert-butyl-1-methyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 63208709

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).