N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C14H28N2O — CID 106603851

IUPACN-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCN1)C(C)C1CCOC1
InChIInChI=1S/C14H28N2O/c1-3-8-16(10-14-5-4-7-15-14)12(2)13-6-9-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyZPVNIIKQWPCITA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106603851) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106603851
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCN1)C(C)C1CCOC1
InChIInChI=1S/C14H28N2O/c1-3-8-16(10-14-5-4-7-15-14)12(2)13-6-9-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyZPVNIIKQWPCITA-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
3-(oxolan-3-yl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613333
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106603851) is N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCN1)C(C)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is ZPVNIIKQWPCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-8-16(10-14-5-4-7-15-14)12(2)13-6-9-17-11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106603851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).