[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine

C14H24N2 — CID 82494187

IUPAC[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine
SMILESCc1cc(C2(CN)CCCCC2)c(C)n1C
InChIInChI=1S/C14H24N2/c1-11-9-13(12(2)16(11)3)14(10-15)7-5-4-6-8-14/h9H,4-8,10,15H2,1-3H3
InChIKeyFZYJTMPTTQNUPI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.80
Rot. Bonds2

About [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine

[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine (PubChem CID 82494187) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine
PubChem CID82494187
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine
SMILESCc1cc(C2(CN)CCCCC2)c(C)n1C
InChIInChI=1S/C14H24N2/c1-11-9-13(12(2)16(11)3)14(10-15)7-5-4-6-8-14/h9H,4-8,10,15H2,1-3H3
InChIKeyFZYJTMPTTQNUPI-UHFFFAOYSA-N
XLogP2.80
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine
CID 117405392
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(1,2-dimethylindol-5-yl)cyclobutyl]methanamine
CID 116996460
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
CID 84812408
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine (CID 82494187) is [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine is Cc1cc(C2(CN)CCCCC2)c(C)n1C.
What is the InChIKey of [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine?
The InChIKey is FZYJTMPTTQNUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-9-13(12(2)16(11)3)14(10-15)7-5-4-6-8-14/h9H,4-8,10,15H2,1-3H3.
What are the key properties of [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine?
[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine has a molecular weight of 220.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 82494187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).