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

C12H22N2 — CID 66411115

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
SMILESCCn1cccc1CNC(C)C(C)C
InChIInChI=1S/C12H22N2/c1-5-14-8-6-7-12(14)9-13-11(4)10(2)3/h6-8,10-11,13H,5,9H2,1-4H3
InChIKeyHXDYUIRZYVCGRA-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.64
Rot. Bonds5

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

N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine (PubChem CID 66411115) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
PubChem CID66411115
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
SMILESCCn1cccc1CNC(C)C(C)C
InChIInChI=1S/C12H22N2/c1-5-14-8-6-7-12(14)9-13-11(4)10(2)3/h6-8,10-11,13H,5,9H2,1-4H3
InChIKeyHXDYUIRZYVCGRA-UHFFFAOYSA-N
XLogP2.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
CID 66411722
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81359776
(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81351998
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 66444031
2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol
CID 106187879
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine (CID 66411115) is N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine is CCn1cccc1CNC(C)C(C)C.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is HXDYUIRZYVCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-14-8-6-7-12(14)9-13-11(4)10(2)3/h6-8,10-11,13H,5,9H2,1-4H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 66411115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).