1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine

C15H26N2O — CID 106930189

IUPAC1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccn(COCC2CC2)c1)C(C)C
InChIInChI=1S/C15H26N2O/c1-4-16-15(12(2)3)14-7-8-17(9-14)11-18-10-13-5-6-13/h7-9,12-13,15-16H,4-6,10-11H2,1-3H3
InChIKeyIPUUMCDGWJBSDM-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.18
Rot. Bonds8

About 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine

1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 106930189) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
PubChem CID106930189
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccn(COCC2CC2)c1)C(C)C
InChIInChI=1S/C15H26N2O/c1-4-16-15(12(2)3)14-7-8-17(9-14)11-18-10-13-5-6-13/h7-9,12-13,15-16H,4-6,10-11H2,1-3H3
InChIKeyIPUUMCDGWJBSDM-UHFFFAOYSA-N
XLogP3.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503
1-[1-(cyclopentylmethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79097227
1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79097651
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79109121
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
N,2-dimethyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705502
N-ethyl-2-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79108130
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108960
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097640

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine (CID 106930189) is 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine is CCNC(c1ccn(COCC2CC2)c1)C(C)C.
What is the InChIKey of 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is IPUUMCDGWJBSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-16-15(12(2)3)14-7-8-17(9-14)11-18-10-13-5-6-13/h7-9,12-13,15-16H,4-6,10-11H2,1-3H3.
What are the key properties of 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine?
1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 106930189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).