N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine

C12H22N2 — CID 100792255

IUPACN-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCc1ccc(CNC(C)C)n1CC
InChIInChI=1S/C12H22N2/c1-5-11-7-8-12(14(11)6-2)9-13-10(3)4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyVQFUDXNFAURDRI-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.57
Rot. Bonds5

About N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine

N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 100792255) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID100792255
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCc1ccc(CNC(C)C)n1CC
InChIInChI=1S/C12H22N2/c1-5-11-7-8-12(14(11)6-2)9-13-10(3)4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyVQFUDXNFAURDRI-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 100792313
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
CID 117173982
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine
CID 117188748
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 117193160
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol
CID 100792639
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine (CID 100792255) is N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine is CCc1ccc(CNC(C)C)n1CC.
What is the InChIKey of N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is VQFUDXNFAURDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-11-7-8-12(14(11)6-2)9-13-10(3)4/h7-8,10,13H,5-6,9H2,1-4H3.
What are the key properties of N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine?
N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 100792255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).