3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine

C13H26N2O — CID 63763200

IUPAC3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1CC1CCOCC1
InChIInChI=1S/C13H26N2O/c14-7-1-3-13-4-2-8-15(13)11-12-5-9-16-10-6-12/h12-13H,1-11,14H2
InChIKeyMEGKFCIUGVMRAG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.62
Rot. Bonds5

About 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63763200) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63763200
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1CC1CCOCC1
InChIInChI=1S/C13H26N2O/c14-7-1-3-13-4-2-8-15(13)11-12-5-9-16-10-6-12/h12-13H,1-11,14H2
InChIKeyMEGKFCIUGVMRAG-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758742
2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 62386446
[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 63765952
(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
CID 129358234
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
CID 23318285
2-(2-bromopropyl)-1-(oxan-4-ylmethyl)azepane
CID 112748024
1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
CID 91322429
[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol
CID 114192421
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 55243358
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine (CID 63763200) is 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1CC1CCOCC1.
What is the InChIKey of 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is MEGKFCIUGVMRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-7-1-3-13-4-2-8-15(13)11-12-5-9-16-10-6-12/h12-13H,1-11,14H2.
What are the key properties of 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63763200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).