4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol

C14H24N2O — CID 115239943

IUPAC4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
SMILESCN(CCc1cc[nH]c1)CC1CCC(O)CC1
InChIInChI=1S/C14H24N2O/c1-16(9-7-12-6-8-15-10-12)11-13-2-4-14(17)5-3-13/h6,8,10,13-15,17H,2-5,7,9,11H2,1H3
InChIKeyLJYTVSWVLZTTEQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds5

About 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol

4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 115239943) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
PubChem CID115239943
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
SMILESCN(CCc1cc[nH]c1)CC1CCC(O)CC1
InChIInChI=1S/C14H24N2O/c1-16(9-7-12-6-8-15-10-12)11-13-2-4-14(17)5-3-13/h6,8,10,13-15,17H,2-5,7,9,11H2,1H3
InChIKeyLJYTVSWVLZTTEQ-UHFFFAOYSA-N
XLogP2.04
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol (CID 115239943) is 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol is CN(CCc1cc[nH]c1)CC1CCC(O)CC1.
What is the InChIKey of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is LJYTVSWVLZTTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16(9-7-12-6-8-15-10-12)11-13-2-4-14(17)5-3-13/h6,8,10,13-15,17H,2-5,7,9,11H2,1H3.
What are the key properties of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol?
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).