1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine

C20H28N2 — CID 165044391

IUPAC1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
SMILESCCCCCC(N(C)c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C20H28N2/c1-4-5-8-17-20(21(2)18-13-9-6-10-14-18)22(3)19-15-11-7-12-16-19/h6-7,9-16,20H,4-5,8,17H2,1-3H3
InChIKeyKTPIWWLTJYLVLA-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.17
Rot. Bonds8

About 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine

1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine (PubChem CID 165044391) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
PubChem CID165044391
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
SMILESCCCCCC(N(C)c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C20H28N2/c1-4-5-8-17-20(21(2)18-13-9-6-10-14-18)22(3)19-15-11-7-12-16-19/h6-7,9-16,20H,4-5,8,17H2,1-3H3
InChIKeyKTPIWWLTJYLVLA-UHFFFAOYSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-nonadecan-10-yl-N-phenylaniline
CID 175110004
N-hexadecan-4-yl-N-phenylaniline
CID 174670846
N-heptyl-N-methylaniline
CID 54015540
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
1-hexadecan-4-yl-1-phenylhydrazine
CID 175509385
1-phenylheptylphosphane
CID 174874892
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline
CID 20979273
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
icosan-10-ylbenzene
CID 54351357

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine (CID 165044391) is 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine is CCCCCC(N(C)c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine?
The InChIKey is KTPIWWLTJYLVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-5-8-17-20(21(2)18-13-9-6-10-14-18)22(3)19-15-11-7-12-16-19/h6-7,9-16,20H,4-5,8,17H2,1-3H3.
What are the key properties of 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine?
1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine has a molecular weight of 296.46 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine is sourced from PubChem (CID 165044391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).