3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol

C11H22N2O — CID 79503625

IUPAC3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1=NCCCC1
InChIInChI=1S/C11H22N2O/c1-3-11(14,4-2)9-13-10-7-5-6-8-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyPITXUAMWHFBGIR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.71
Rot. Bonds4

About 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol

3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol (PubChem CID 79503625) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol
PubChem CID79503625
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1=NCCCC1
InChIInChI=1S/C11H22N2O/c1-3-11(14,4-2)9-13-10-7-5-6-8-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyPITXUAMWHFBGIR-UHFFFAOYSA-N
XLogP1.71
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol (CID 79503625) is 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1=NCCCC1.
What is the InChIKey of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol?
The InChIKey is PITXUAMWHFBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-11(14,4-2)9-13-10-7-5-6-8-12-10/h14H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol?
3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol has a molecular weight of 198.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 79503625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).