3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one

C18H23NO — CID 116576897

IUPAC3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO/c1-13(2)9-14(12-19)10-18(20)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,13-14H,9-10,12,19H2,1-2H3
InChIKeyPATGOHLSCVHXLM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds6

About 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one

3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one (PubChem CID 116576897) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
PubChem CID116576897
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO/c1-13(2)9-14(12-19)10-18(20)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,13-14H,9-10,12,19H2,1-2H3
InChIKeyPATGOHLSCVHXLM-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
CID 116576913
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
3-(aminomethyl)-1-(2,6-difluorophenyl)-5-methylhexan-1-one
CID 116576864
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
CID 116614651
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one (CID 116576897) is 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one is CC(C)CC(CN)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one?
The InChIKey is PATGOHLSCVHXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)9-14(12-19)10-18(20)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,13-14H,9-10,12,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one?
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one is sourced from PubChem (CID 116576897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).