N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine

C15H26N2 — CID 66414021

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCCn1ccc(CNCC2CCC(C)CC2)c1
InChIInChI=1S/C15H26N2/c1-3-17-9-8-15(12-17)11-16-10-14-6-4-13(2)5-7-14/h8-9,12-14,16H,3-7,10-11H2,1-2H3
InChIKeyKMNSYAGKDNHKSG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.42
Rot. Bonds5

About N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine

N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 66414021) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID66414021
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCCn1ccc(CNCC2CCC(C)CC2)c1
InChIInChI=1S/C15H26N2/c1-3-17-9-8-15(12-17)11-16-10-14-6-4-13(2)5-7-14/h8-9,12-14,16H,3-7,10-11H2,1-2H3
InChIKeyKMNSYAGKDNHKSG-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66415588
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66414820
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
1-(4-methylcyclohexyl)-N-[[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methyl]methanamine
CID 142229183
N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66414811
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
N-[[1-(oxan-4-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406332
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 66416766

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 66414021) is N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine is CCn1ccc(CNCC2CCC(C)CC2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is KMNSYAGKDNHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-17-9-8-15(12-17)11-16-10-14-6-4-13(2)5-7-14/h8-9,12-14,16H,3-7,10-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 234.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 66414021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).