4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine

C16H28N2 — CID 66416546

IUPAC4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccc(CNC2CCC(CC)CC2)c1
InChIInChI=1S/C16H28N2/c1-3-10-18-11-9-15(13-18)12-17-16-7-5-14(4-2)6-8-16/h9,11,13-14,16-17H,3-8,10,12H2,1-2H3
InChIKeyJQVLOTYTRAJYNM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.96
Rot. Bonds6

About 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine

4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 66416546) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
PubChem CID66416546
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccc(CNC2CCC(CC)CC2)c1
InChIInChI=1S/C16H28N2/c1-3-10-18-11-9-15(13-18)12-17-16-7-5-14(4-2)6-8-16/h9,11,13-14,16-17H,3-8,10,12H2,1-2H3
InChIKeyJQVLOTYTRAJYNM-UHFFFAOYSA-N
XLogP3.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103527697
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 103527273
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 66414407
N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
CID 66406178
1,1-dioxo-N-[(1-propylpyrrol-3-yl)methyl]thian-3-amine
CID 66414415
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine (CID 66416546) is 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine is CCCn1ccc(CNC2CCC(CC)CC2)c1.
What is the InChIKey of 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is JQVLOTYTRAJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-10-18-11-9-15(13-18)12-17-16-7-5-14(4-2)6-8-16/h9,11,13-14,16-17H,3-8,10,12H2,1-2H3.
What are the key properties of 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66416546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).