N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine

C13H22N2O — CID 66445785

IUPACN-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine
SMILESCCCn1cccc1CNC1CCCOC1
InChIInChI=1S/C13H22N2O/c1-2-7-15-8-3-6-13(15)10-14-12-5-4-9-16-11-12/h3,6,8,12,14H,2,4-5,7,9-11H2,1H3
InChIKeyUGGMBJDGXANDRF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.17
Rot. Bonds5

About N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine

N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine (PubChem CID 66445785) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine
PubChem CID66445785
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine
SMILESCCCn1cccc1CNC1CCCOC1
InChIInChI=1S/C13H22N2O/c1-2-7-15-8-3-6-13(15)10-14-12-5-4-9-16-11-12/h3,6,8,12,14H,2,4-5,7,9-11H2,1H3
InChIKeyUGGMBJDGXANDRF-UHFFFAOYSA-N
XLogP2.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 63360497
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[(1-propylpyrrol-2-yl)methyl]thiolan-3-amine
CID 103062608
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 66445596
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 66410553
N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714698
2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411363

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine (CID 66445785) is N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine is CCCn1cccc1CNC1CCCOC1.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine?
The InChIKey is UGGMBJDGXANDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-7-15-8-3-6-13(15)10-14-12-5-4-9-16-11-12/h3,6,8,12,14H,2,4-5,7,9-11H2,1H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine?
N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine is sourced from PubChem (CID 66445785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).