N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine

C14H24N2O2 — CID 104759716

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCC2(OC)CCOC2)c1
InChIInChI=1S/C14H24N2O2/c1-3-6-16-7-4-13(10-16)9-15-11-14(17-2)5-8-18-12-14/h4,7,10,15H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyKNUHDYKFFQRVMI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 104759716) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID104759716
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCC2(OC)CCOC2)c1
InChIInChI=1S/C14H24N2O2/c1-3-6-16-7-4-13(10-16)9-15-11-14(17-2)5-8-18-12-14/h4,7,10,15H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyKNUHDYKFFQRVMI-UHFFFAOYSA-N
XLogP1.79
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 104704966
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
1-(3,4-dibromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443345
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
1-(4-bromo-3-chlorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 103581860
1-(3-bromo-4-methylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705138

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (CID 104759716) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNCC2(OC)CCOC2)c1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is KNUHDYKFFQRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-16-7-4-13(10-16)9-15-11-14(17-2)5-8-18-12-14/h4,7,10,15H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 104759716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).