3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one

C16H26N2O2 — CID 116576849

IUPAC3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
SMILESCCCOc1cncc(C(=O)CC(CN)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-20-15-8-14(10-18-11-15)16(19)7-13(9-17)6-12(2)3/h8,10-13H,4-7,9,17H2,1-3H3
InChIKeyNFDNYEVLUIWLIO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.06
Rot. Bonds9

About 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one

3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one (PubChem CID 116576849) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
PubChem CID116576849
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
SMILESCCCOc1cncc(C(=O)CC(CN)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-20-15-8-14(10-18-11-15)16(19)7-13(9-17)6-12(2)3/h8,10-13H,4-7,9,17H2,1-3H3
InChIKeyNFDNYEVLUIWLIO-UHFFFAOYSA-N
XLogP3.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
3-(aminomethyl)-5-methyl-1-(2-propoxyphenyl)hexan-1-one
CID 116576808
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 105124335
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one (CID 116576849) is 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one is CCCOc1cncc(C(=O)CC(CN)CC(C)C)c1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one?
The InChIKey is NFDNYEVLUIWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-20-15-8-14(10-18-11-15)16(19)7-13(9-17)6-12(2)3/h8,10-13H,4-7,9,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one?
3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one has a molecular weight of 278.40 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one is sourced from PubChem (CID 116576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).