N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine

C14H24N2S — CID 114122687

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
SMILESCCn1cccc1CNC1CCC(SC)CC1
InChIInChI=1S/C14H24N2S/c1-3-16-10-4-5-13(16)11-15-12-6-8-14(17-2)9-7-12/h4-5,10,12,14-15H,3,6-9,11H2,1-2H3
InChIKeyNRSLZEQMHYXMRB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.27
Rot. Bonds5

About N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine

N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine (PubChem CID 114122687) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
PubChem CID114122687
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
SMILESCCn1cccc1CNC1CCC(SC)CC1
InChIInChI=1S/C14H24N2S/c1-3-16-10-4-5-13(16)11-15-12-6-8-14(17-2)9-7-12/h4-5,10,12,14-15H,3,6-9,11H2,1-2H3
InChIKeyNRSLZEQMHYXMRB-UHFFFAOYSA-N
XLogP3.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66443243
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66401824

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine (CID 114122687) is N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine is CCn1cccc1CNC1CCC(SC)CC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The InChIKey is NRSLZEQMHYXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-16-10-4-5-13(16)11-15-12-6-8-14(17-2)9-7-12/h4-5,10,12,14-15H,3,6-9,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114122687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).