N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide

C9H17N3O — CID 45120187

IUPACN-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CN=C(N)CC1C
InChIInChI=1S/C9H17N3O/c1-6-3-9(10)12-5-8(6)4-11-7(2)13/h6,8H,3-5H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyALXJZXUBSGZHHH-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.14
Rot. Bonds2

About N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide

N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide (PubChem CID 45120187) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide
PubChem CID45120187
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CN=C(N)CC1C
InChIInChI=1S/C9H17N3O/c1-6-3-9(10)12-5-8(6)4-11-7(2)13/h6,8H,3-5H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyALXJZXUBSGZHHH-UHFFFAOYSA-N
XLogP0.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide (CID 45120187) is N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide is CC(=O)NCC1CN=C(N)CC1C.
What is the InChIKey of N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide?
The InChIKey is ALXJZXUBSGZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6-3-9(10)12-5-8(6)4-11-7(2)13/h6,8H,3-5H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide?
N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 45120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).