N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine

C12H22N2O — CID 79102768

IUPACN-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CCOC
InChIInChI=1S/C12H22N2O/c1-4-7-13-11(2)12-6-5-8-14(12)9-10-15-3/h5-6,8,11,13H,4,7,9-10H2,1-3H3
InChIKeyNGVRQOMVHVXKHX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.20
Rot. Bonds7

About N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79102768) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79102768
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CCOC
InChIInChI=1S/C12H22N2O/c1-4-7-13-11(2)12-6-5-8-14(12)9-10-15-3/h5-6,8,11,13H,4,7,9-10H2,1-3H3
InChIKeyNGVRQOMVHVXKHX-UHFFFAOYSA-N
XLogP2.20
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79108535
N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108694
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine (CID 79102768) is N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1CCOC.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is NGVRQOMVHVXKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-13-11(2)12-6-5-8-14(12)9-10-15-3/h5-6,8,11,13H,4,7,9-10H2,1-3H3.
What are the key properties of N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79102768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).