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

C13H26N2O — CID 62513685

IUPACN-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2CCCO2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12-5-6-15(9-12)10-13-4-3-7-16-13/h11-14H,3-10H2,1-2H3
InChIKeyJBYJZFQWOZLWAG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

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

N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62513685) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62513685
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2CCCO2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12-5-6-15(9-12)10-13-4-3-7-16-13/h11-14H,3-10H2,1-2H3
InChIKeyJBYJZFQWOZLWAG-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
3-(bromomethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 80680342
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
N-[[4-(oxolan-2-ylmethyl)morpholin-3-yl]methyl]propan-2-amine
CID 83099933

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62513685) is N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CC2CCCO2)C1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is JBYJZFQWOZLWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-8-12-5-6-15(9-12)10-13-4-3-7-16-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62513685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).