2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine

C16H28N2 — CID 65377345

IUPAC2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)Nc1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-4-5-6-7-12-16(3,13-17)18-15-10-8-14(2)9-11-15/h8-11,18H,4-7,12-13,17H2,1-3H3
InChIKeyAHXFLQDPCUDDCH-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.09
Rot. Bonds8

About 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine

2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine (PubChem CID 65377345) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
PubChem CID65377345
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)Nc1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-4-5-6-7-12-16(3,13-17)18-15-10-8-14(2)9-11-15/h8-11,18H,4-7,12-13,17H2,1-3H3
InChIKeyAHXFLQDPCUDDCH-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
N-(4-methyldecan-4-yl)aniline
CID 166741267
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
4-methyl-N-octylaniline
CID 11816856
N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-(4-methylphenyl)octan-2-ol
CID 65144778
2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
2-(2,2-dimethylhydrazinyl)-2-methylnonan-1-amine
CID 83011091
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine (CID 65377345) is 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine is CCCCCCC(C)(CN)Nc1ccc(C)cc1.
What is the InChIKey of 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine?
The InChIKey is AHXFLQDPCUDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-5-6-7-12-16(3,13-17)18-15-10-8-14(2)9-11-15/h8-11,18H,4-7,12-13,17H2,1-3H3.
What are the key properties of 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine?
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine is sourced from PubChem (CID 65377345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).