N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine

C12H22N2O — CID 66416176

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1ccn(CC)c1
InChIInChI=1S/C12H22N2O/c1-4-12(10-15-3)13-8-11-6-7-14(5-2)9-11/h6-7,9,12-13H,4-5,8,10H2,1-3H3
InChIKeySPJZGNXYMXOENY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds7

About N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine

N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine (PubChem CID 66416176) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
PubChem CID66416176
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1ccn(CC)c1
InChIInChI=1S/C12H22N2O/c1-4-12(10-15-3)13-8-11-6-7-14(5-2)9-11/h6-7,9,12-13H,4-5,8,10H2,1-3H3
InChIKeySPJZGNXYMXOENY-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile
CID 66416364
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
CID 66413834
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-3-methylbutanoate
CID 66398421
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351026
N-[(3-chloro-4-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106816854
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
CID 82706620
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
CID 66415576

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine (CID 66416176) is N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine is CCC(COC)NCc1ccn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine?
The InChIKey is SPJZGNXYMXOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(10-15-3)13-8-11-6-7-14(5-2)9-11/h6-7,9,12-13H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine?
N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine is sourced from PubChem (CID 66416176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).