N,N-dimethylmethanamine;1,3,5-trimethylbenzene

C12H21N — CID 160733965

IUPACN,N-dimethylmethanamine;1,3,5-trimethylbenzene
SMILESCN(C)C.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C3H9N/c1-7-4-8(2)6-9(3)5-7;1-4(2)3/h4-6H,1-3H3;1-3H3
InChIKeyRUSAUBVYJITZHO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.79
Rot. Bonds

About N,N-dimethylmethanamine;1,3,5-trimethylbenzene

N,N-dimethylmethanamine;1,3,5-trimethylbenzene (PubChem CID 160733965) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1,3,5-trimethylbenzene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1,3,5-trimethylbenzene
PubChem CID160733965
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethylmethanamine;1,3,5-trimethylbenzene
SMILESCN(C)C.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C3H9N/c1-7-4-8(2)6-9(3)5-7;1-4(2)3/h4-6H,1-3H3;1-3H3
InChIKeyRUSAUBVYJITZHO-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
formonitrile;1,3,5-trimethylbenzene
CID 174826910
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
difluoroxenon;1,3,5-trimethylbenzene
CID 175404691
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
chromium;formaldehyde;1,3,5-trimethylbenzene
CID 15823960
bis(3,5-dimethylphenyl)methylphosphane
CID 23104852
1,3-dimethyl-5-(tribromo-λ4-tellanyl)benzene
CID 11488270
(3,5-dimethylphenyl)azanium
CID 1274251
3,5-dimethylaniline;hydrofluoride
CID 158073989

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1,3,5-trimethylbenzene?
The IUPAC name of N,N-dimethylmethanamine;1,3,5-trimethylbenzene (CID 160733965) is N,N-dimethylmethanamine;1,3,5-trimethylbenzene.
What is the SMILES notation for N,N-dimethylmethanamine;1,3,5-trimethylbenzene?
The canonical SMILES for N,N-dimethylmethanamine;1,3,5-trimethylbenzene is CN(C)C.Cc1cc(C)cc(C)c1.
What is the InChIKey of N,N-dimethylmethanamine;1,3,5-trimethylbenzene?
The InChIKey is RUSAUBVYJITZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H9N/c1-7-4-8(2)6-9(3)5-7;1-4(2)3/h4-6H,1-3H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;1,3,5-trimethylbenzene?
N,N-dimethylmethanamine;1,3,5-trimethylbenzene has a molecular weight of 179.31 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1,3,5-trimethylbenzene is sourced from PubChem (CID 160733965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).