4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine

C15H26N2 — CID 62793221

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(n2c(C)ccc2C)CC1
InChIInChI=1S/C15H26N2/c1-4-11-16-14-7-9-15(10-8-14)17-12(2)5-6-13(17)3/h5-6,14-16H,4,7-11H2,1-3H3
InChIKeyIGXBIHUZWKLWMJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.59
Rot. Bonds4

About 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine

4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 62793221) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine
PubChem CID62793221
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(n2c(C)ccc2C)CC1
InChIInChI=1S/C15H26N2/c1-4-11-16-14-7-9-15(10-8-14)17-12(2)5-6-13(17)3/h5-6,14-16H,4,7-11H2,1-3H3
InChIKeyIGXBIHUZWKLWMJ-UHFFFAOYSA-N
XLogP3.59
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 96671961
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
1-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79686955
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylcyclohexan-1-amine
CID 114763316
3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79642762
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
CID 79687378
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
6-[4-(propylamino)cyclohexyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60997651

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine (CID 62793221) is 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(n2c(C)ccc2C)CC1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is IGXBIHUZWKLWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-11-16-14-7-9-15(10-8-14)17-12(2)5-6-13(17)3/h5-6,14-16H,4,7-11H2,1-3H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine?
4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62793221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).