N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane

C21H51N — CID 144528307

IUPACN,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCC(C)C.CCCCCC.CN(C)C
InChIInChI=1S/C7H16.C6H14.C5H12.C3H9N/c1-6(2)7(3,4)5;1-3-5-6-4-2;1-4-5(2)3;1-4(2)3/h6H,1-5H3;3-6H2,1-2H3;5H,4H2,1-3H3;1-3H3
InChIKeyGUINJGFREQGMMK-UHFFFAOYSA-N
MW317.65 g/mol
LogP7.51
Rot. Bonds4

About N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane

N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane (PubChem CID 144528307) has the molecular formula C21H51N and a molecular weight of 317.65 g/mol. Its IUPAC name is N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
PubChem CID144528307
Molecular FormulaC21H51N
Molecular Weight317.65 g/mol
Exact Mass317.40
IUPAC NameN,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCC(C)C.CCCCCC.CN(C)C
InChIInChI=1S/C7H16.C6H14.C5H12.C3H9N/c1-6(2)7(3,4)5;1-3-5-6-4-2;1-4-5(2)3;1-4(2)3/h6H,1-5H3;3-6H2,1-2H3;5H,4H2,1-3H3;1-3H3
InChIKeyGUINJGFREQGMMK-UHFFFAOYSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.65
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
N,N-dimethylmethanamine;tridecane
CID 174432259
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
2-methylbutane;2-methyltridecane
CID 54106775
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989
butane;2,2-dimethylbutane;hexane;methane;2-methylbutane;2-methylpentane;pentane
CID 160670353
mercury;2-methylheptane
CID 175108338
2,3,3,4-tetramethylnonadecane
CID 174953704

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane?
The IUPAC name of N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane (CID 144528307) is N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane.
What is the SMILES notation for N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane?
The canonical SMILES for N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CCC(C)C.CCCCCC.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane?
The InChIKey is GUINJGFREQGMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14.C5H12.C3H9N/c1-6(2)7(3,4)5;1-3-5-6-4-2;1-4-5(2)3;1-4(2)3/h6H,1-5H3;3-6H2,1-2H3;5H,4H2,1-3H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane?
N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane has a molecular weight of 317.65 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane is sourced from PubChem (CID 144528307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).