N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine

C13H22N2 — CID 66411275

IUPACN-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
SMILESCCn1cccc1CNC1CCCCC1
InChIInChI=1S/C13H22N2/c1-2-15-10-6-9-13(15)11-14-12-7-4-3-5-8-12/h6,9-10,12,14H,2-5,7-8,11H2,1H3
InChIKeyOUXWJAOOEIMUMG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine

N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine (PubChem CID 66411275) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
PubChem CID66411275
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
SMILESCCn1cccc1CNC1CCCCC1
InChIInChI=1S/C13H22N2/c1-2-15-10-6-9-13(15)11-14-12-7-4-3-5-8-12/h6,9-10,12,14H,2-5,7-8,11H2,1H3
InChIKeyOUXWJAOOEIMUMG-UHFFFAOYSA-N
XLogP2.93
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66443243
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 42761712
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine (CID 66411275) is N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine is CCn1cccc1CNC1CCCCC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine?
The InChIKey is OUXWJAOOEIMUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-15-10-6-9-13(15)11-14-12-7-4-3-5-8-12/h6,9-10,12,14H,2-5,7-8,11H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine?
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 66411275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).