N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H22N2O — CID 80714698

IUPACN-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCn1cccc1CNC1CC2CCC1O2
InChIInChI=1S/C14H22N2O/c1-2-7-16-8-3-4-11(16)10-15-13-9-12-5-6-14(13)17-12/h3-4,8,12-15H,2,5-7,9-10H2,1H3
InChIKeyZBLLUKAKDUCIHG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.31
Rot. Bonds5

About N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80714698) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80714698
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCn1cccc1CNC1CC2CCC1O2
InChIInChI=1S/C14H22N2O/c1-2-7-16-8-3-4-11(16)10-15-13-9-12-5-6-14(13)17-12/h3-4,8,12-15H,2,5-7,9-10H2,1H3
InChIKeyZBLLUKAKDUCIHG-UHFFFAOYSA-N
XLogP2.31
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 3162222
3-butoxy-N-({1-[2-(morpholin-4-yl)ethyl]-1H-pyrrol-2-yl}methyl)propan-1-amine
CID 5153130
N-({1-[2-(morpholin-4-yl)ethyl]-1H-pyrrol-2-yl}methyl)butan-1-amine
CID 5238419
3-(1-methyl-1H-pyrrol-2-yl)morpholine
CID 75355390
trans-(1S,2S)-N-[(5-fluoro-2-pyridinyl)methyl]-2-methoxycyclohexan-1-amine
CID 168750299
N-[(1-methylpyrrol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 1814899
N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4267478
N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435230
N-(1-pyridin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748970
N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62133143
N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62339918
N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 66413129

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80714698) is N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CCCn1cccc1CNC1CC2CCC1O2.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZBLLUKAKDUCIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-7-16-8-3-4-11(16)10-15-13-9-12-5-6-14(13)17-12/h3-4,8,12-15H,2,5-7,9-10H2,1H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 2.31, 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]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80714698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).