2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C14H29N3 — CID 107911598

IUPAC2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCC(CNCCN1CCCC1)CN1CCCC1
InChIInChI=1S/C14H29N3/c1-14(13-17-9-4-5-10-17)12-15-6-11-16-7-2-3-8-16/h14-15H,2-13H2,1H3
InChIKeyCLFXQOANIDPLLK-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds7

About 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 107911598) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID107911598
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCC(CNCCN1CCCC1)CN1CCCC1
InChIInChI=1S/C14H29N3/c1-14(13-17-9-4-5-10-17)12-15-6-11-16-7-2-3-8-16/h14-15H,2-13H2,1H3
InChIKeyCLFXQOANIDPLLK-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
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-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 77031683
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168
2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 104519156
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 107911598) is 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CC(CNCCN1CCCC1)CN1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is CLFXQOANIDPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(13-17-9-4-5-10-17)12-15-6-11-16-7-2-3-8-16/h14-15H,2-13H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 107911598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).