2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine

C15H26N2 — CID 81321137

IUPAC2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCC(C)(C)CC1C
InChIInChI=1S/C15H26N2/c1-11-10-15(4,5)9-8-14(11)16-17-12(2)6-7-13(17)3/h6-7,11,14,16H,8-10H2,1-5H3
InChIKeyRMDIUCBMIOZQQG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.86
Rot. Bonds2

About 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine

2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine (PubChem CID 81321137) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine
PubChem CID81321137
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCC(C)(C)CC1C
InChIInChI=1S/C15H26N2/c1-11-10-15(4,5)9-8-14(11)16-17-12(2)6-7-13(17)3/h6-7,11,14,16H,8-10H2,1-5H3
InChIKeyRMDIUCBMIOZQQG-UHFFFAOYSA-N
XLogP3.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Anilino-2,5-diisopropylpyrrol
CID 129648530
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79089751
N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine
CID 79089760
N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79089848
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090237
2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
CID 79090338
N-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090424
2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine
CID 79090433
2,5-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]pyrrol-1-amine
CID 79090911
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090918
2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine
CID 79100008
N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100045

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine (CID 81321137) is 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine is Cc1ccc(C)n1NC1CCC(C)(C)CC1C.
What is the InChIKey of 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine?
The InChIKey is RMDIUCBMIOZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-10-15(4,5)9-8-14(11)16-17-12(2)6-7-13(17)3/h6-7,11,14,16H,8-10H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine?
2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine is sourced from PubChem (CID 81321137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).