2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine

C12H25N3 — CID 19869583

IUPAC2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESC1CCN(CCNCCN2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-2-8-14(7-1)11-5-13-6-12-15-9-3-4-10-15/h13H,1-12H2
InChIKeyWNBQXAYEOAXFEJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.77
Rot. Bonds6

About 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 19869583) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID19869583
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESC1CCN(CCNCCN2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-2-8-14(7-1)11-5-13-6-12-15-9-3-4-10-15/h13H,1-12H2
InChIKeyWNBQXAYEOAXFEJ-UHFFFAOYSA-N
XLogP0.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-(2-bromoethyl)-2-piperidin-1-ylethanamine
CID 46738415
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031
2-(azepan-1-yl)-N-(2-chloroethyl)ethanamine
CID 53215657
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 28654137
N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine
CID 104806798
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 19869583) is 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine is C1CCN(CCNCCN2CCCC2)C1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is WNBQXAYEOAXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-2-8-14(7-1)11-5-13-6-12-15-9-3-4-10-15/h13H,1-12H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 19869583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).