methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine

C18H35N — CID 142255849

IUPACmethane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine
SMILESC.CC(C)CCN(C)C.Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C10H14.C7H17N.CH4/c1-7-5-8(2)10(4)9(3)6-7;1-7(2)5-6-8(3)4;/h5-6H,1-4H3;7H,5-6H2,1-4H3;1H4
InChIKeyMCNFKRRVBUCUFO-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.15
Rot. Bonds3

About methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine

methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine (PubChem CID 142255849) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Namemethane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine
PubChem CID142255849
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Namemethane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine
SMILESC.CC(C)CCN(C)C.Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C10H14.C7H17N.CH4/c1-7-5-8(2)10(4)9(3)6-7;1-7(2)5-6-8(3)4;/h5-6H,1-4H3;7H,5-6H2,1-4H3;1H4
InChIKeyMCNFKRRVBUCUFO-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

propane;N,N,3-trimethylbutan-1-amine
CID 144828505
1,2,5-trimethyl-3-(3-methylbutyl)benzene
CID 584289
3-[2,4,6-trimethyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319111
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
CID 61476145
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942311
1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346441
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
3-[2-chloro-4,6-dimethyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319096
4-[4-(dimethylamino)butan-2-ylamino]-2-methylbenzenecarbothioamide
CID 81276489

Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine?
The IUPAC name of methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine (CID 142255849) is methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine?
The canonical SMILES for methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine is C.CC(C)CCN(C)C.Cc1cc(C)c(C)c(C)c1.
What is the InChIKey of methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine?
The InChIKey is MCNFKRRVBUCUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C7H17N.CH4/c1-7-5-8(2)10(4)9(3)6-7;1-7(2)5-6-8(3)4;/h5-6H,1-4H3;7H,5-6H2,1-4H3;1H4.
What are the key properties of methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine?
methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 142255849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).