[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol

C16H28N2O — CID 103965890

IUPAC[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCCn1ccc(CNCC2(CO)CCCCC2)c1
InChIInChI=1S/C16H28N2O/c1-2-9-18-10-6-15(12-18)11-17-13-16(14-19)7-4-3-5-8-16/h6,10,12,17,19H,2-5,7-9,11,13-14H2,1H3
InChIKeyPLTOJNUNAPEABF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.93
Rot. Bonds7

About [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 103965890) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID103965890
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCCn1ccc(CNCC2(CO)CCCCC2)c1
InChIInChI=1S/C16H28N2O/c1-2-9-18-10-6-15(12-18)11-17-13-16(14-19)7-4-3-5-8-16/h6,10,12,17,19H,2-5,7-9,11,13-14H2,1H3
InChIKeyPLTOJNUNAPEABF-UHFFFAOYSA-N
XLogP2.93
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 66416766
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849

Frequently Asked Questions

What is the IUPAC name of [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol (CID 103965890) is [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol is CCCn1ccc(CNCC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is PLTOJNUNAPEABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-9-18-10-6-15(12-18)11-17-13-16(14-19)7-4-3-5-8-16/h6,10,12,17,19H,2-5,7-9,11,13-14H2,1H3.
What are the key properties of [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 264.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).