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

C15H26N2 — CID 66410893

IUPACN-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
SMILESCCn1cccc1CNC1CCCCCCC1
InChIInChI=1S/C15H26N2/c1-2-17-12-8-11-15(17)13-16-14-9-6-4-3-5-7-10-14/h8,11-12,14,16H,2-7,9-10,13H2,1H3
InChIKeyHAVAWNQNGXHGLW-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.71
Rot. Bonds4

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

N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine (PubChem CID 66410893) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
PubChem CID66410893
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
SMILESCCn1cccc1CNC1CCCCCCC1
InChIInChI=1S/C15H26N2/c1-2-17-12-8-11-15(17)13-16-14-9-6-4-3-5-7-10-14/h8,11-12,14,16H,2-7,9-10,13H2,1H3
InChIKeyHAVAWNQNGXHGLW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
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]cyclooctanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine (CID 66410893) is N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine is CCn1cccc1CNC1CCCCCCC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine?
The InChIKey is HAVAWNQNGXHGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-17-12-8-11-15(17)13-16-14-9-6-4-3-5-7-10-14/h8,11-12,14,16H,2-7,9-10,13H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine?
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine has a molecular weight of 234.39 g/mol, XLogP of 3.71, 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]cyclooctanamine is sourced from PubChem (CID 66410893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).