1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane

C18H25NO — CID 157116142

IUPAC1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
SMILESC.CC(C)C(=O)C(c1cccc2ccccc12)N(C)C
InChIInChI=1S/C17H21NO.CH4/c1-12(2)17(19)16(18(3)4)15-11-7-9-13-8-5-6-10-14(13)15;/h5-12,16H,1-4H3;1H4
InChIKeyAHKUAYSDXVHRPF-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.30
Rot. Bonds4

About 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane

1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane (PubChem CID 157116142) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane.

Molecular Properties

Compound Name1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
PubChem CID157116142
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
SMILESC.CC(C)C(=O)C(c1cccc2ccccc12)N(C)C
InChIInChI=1S/C17H21NO.CH4/c1-12(2)17(19)16(18(3)4)15-11-7-9-13-8-5-6-10-14(13)15;/h5-12,16H,1-4H3;1H4
InChIKeyAHKUAYSDXVHRPF-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
N,N',2-trimethyl-N'-[(2S)-2-naphthalen-1-ylpropanoyl]propanehydrazide
CID 27877300
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane?
The IUPAC name of 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane (CID 157116142) is 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane.
What is the SMILES notation for 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane?
The canonical SMILES for 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane is C.CC(C)C(=O)C(c1cccc2ccccc12)N(C)C.
What is the InChIKey of 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane?
The InChIKey is AHKUAYSDXVHRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.CH4/c1-12(2)17(19)16(18(3)4)15-11-7-9-13-8-5-6-10-14(13)15;/h5-12,16H,1-4H3;1H4.
What are the key properties of 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane?
1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane has a molecular weight of 271.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane is sourced from PubChem (CID 157116142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).