4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol

C15H22N2O — CID 154979165

IUPAC4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol
SMILESCCCc1cncc(NCC2CC=C(O)CC2)c1
InChIInChI=1S/C15H22N2O/c1-2-3-13-8-14(11-16-9-13)17-10-12-4-6-15(18)7-5-12/h6,8-9,11-12,17-18H,2-5,7,10H2,1H3
InChIKeyNIVGEHUSYAWBIA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.69
Rot. Bonds5

About 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol

4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol (PubChem CID 154979165) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol.

Molecular Properties

Compound Name4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol
PubChem CID154979165
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol
SMILESCCCc1cncc(NCC2CC=C(O)CC2)c1
InChIInChI=1S/C15H22N2O/c1-2-3-13-8-14(11-16-9-13)17-10-12-4-6-15(18)7-5-12/h6,8-9,11-12,17-18H,2-5,7,10H2,1H3
InChIKeyNIVGEHUSYAWBIA-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol?
The IUPAC name of 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol (CID 154979165) is 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol.
What is the SMILES notation for 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol?
The canonical SMILES for 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol is CCCc1cncc(NCC2CC=C(O)CC2)c1.
What is the InChIKey of 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol?
The InChIKey is NIVGEHUSYAWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-13-8-14(11-16-9-13)17-10-12-4-6-15(18)7-5-12/h6,8-9,11-12,17-18H,2-5,7,10H2,1H3.
What are the key properties of 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol?
4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-propyl-3-pyridinyl)amino]methyl]cyclohexen-1-ol is sourced from PubChem (CID 154979165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).