N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

C14H21N3O — CID 79508567

IUPACN-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)Oc1ncccc1CNC1=NCCCC1
InChIInChI=1S/C14H21N3O/c1-11(2)18-14-12(6-5-9-16-14)10-17-13-7-3-4-8-15-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyXOJQGIVIUSUDRP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508567) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508567
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)Oc1ncccc1CNC1=NCCCC1
InChIInChI=1S/C14H21N3O/c1-11(2)18-14-12(6-5-9-16-14)10-17-13-7-3-4-8-15-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyXOJQGIVIUSUDRP-UHFFFAOYSA-N
XLogP2.54
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 65169702
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[[2-(ethoxymethyl)phenyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79507387
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 79508567) is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is CC(C)Oc1ncccc1CNC1=NCCCC1.
What is the InChIKey of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is XOJQGIVIUSUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)18-14-12(6-5-9-16-14)10-17-13-7-3-4-8-15-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 247.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).