N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine

C16H28N2 — CID 115197901

IUPACN,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
SMILESCNCCCN(C)Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H28N2/c1-12-10-13(2)15(4)16(14(12)3)11-18(6)9-7-8-17-5/h10,17H,7-9,11H2,1-6H3
InChIKeyVSFCCTYJECOKEU-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.96
Rot. Bonds6

About N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine

N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115197901) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
PubChem CID115197901
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
SMILESCNCCCN(C)Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H28N2/c1-12-10-13(2)15(4)16(14(12)3)11-18(6)9-7-8-17-5/h10,17H,7-9,11H2,1-6H3
InChIKeyVSFCCTYJECOKEU-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 115215720
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202067
N-methyl-N-[(2,3,4,6-tetramethylphenyl)methyl]propan-1-amine
CID 143873938
2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
CID 115137003
N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine
CID 115201667
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
CID 115219486
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 107236430
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine (CID 115197901) is N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine is CNCCCN(C)Cc1c(C)c(C)cc(C)c1C.
What is the InChIKey of N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is VSFCCTYJECOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-10-13(2)15(4)16(14(12)3)11-18(6)9-7-8-17-5/h10,17H,7-9,11H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115197901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).