1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine

C13H22N2O — CID 46784877

IUPAC1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
SMILESCC(C)n1cccc1CNCC1CCCO1
InChIInChI=1S/C13H22N2O/c1-11(2)15-7-3-5-12(15)9-14-10-13-6-4-8-16-13/h3,5,7,11,13-14H,4,6,8-10H2,1-2H3
InChIKeyJCMUNESGHNJTGL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.34
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine

1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine (PubChem CID 46784877) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
PubChem CID46784877
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
SMILESCC(C)n1cccc1CNCC1CCCO1
InChIInChI=1S/C13H22N2O/c1-11(2)15-7-3-5-12(15)9-14-10-13-6-4-8-16-13/h3,5,7,11,13-14H,4,6,8-10H2,1-2H3
InChIKeyJCMUNESGHNJTGL-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4269997
1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 126965651
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine (CID 46784877) is 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine is CC(C)n1cccc1CNCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine?
The InChIKey is JCMUNESGHNJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)15-7-3-5-12(15)9-14-10-13-6-4-8-16-13/h3,5,7,11,13-14H,4,6,8-10H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine?
1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 46784877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).