2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine

C28H40N2 — CID 143601433

IUPAC2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine
SMILESC=C(CCCCCCCCC(=C)Nc1cc(C)cc(C)c1)Nc1cc(C)cc(C)c1
InChIInChI=1S/C28H40N2/c1-21-15-22(2)18-27(17-21)29-25(5)13-11-9-7-8-10-12-14-26(6)30-28-19-23(3)16-24(4)20-28/h15-20,29-30H,5-14H2,1-4H3
InChIKeyLDZHFUJMGUEKEB-UHFFFAOYSA-N
MW404.64 g/mol
LogP8.59
Rot. Bonds13

About 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine

2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine (PubChem CID 143601433) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine.

Molecular Properties

Compound Name2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine
PubChem CID143601433
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine
SMILESC=C(CCCCCCCCC(=C)Nc1cc(C)cc(C)c1)Nc1cc(C)cc(C)c1
InChIInChI=1S/C28H40N2/c1-21-15-22(2)18-27(17-21)29-25(5)13-11-9-7-8-10-12-14-26(6)30-28-19-23(3)16-24(4)20-28/h15-20,29-30H,5-14H2,1-4H3
InChIKeyLDZHFUJMGUEKEB-UHFFFAOYSA-N
XLogP8.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.59
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

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CID 173312766
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CID 146304151
N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane
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1-(3,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea
CID 2422712
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
CID 67275978
N'-(3-acetyl-5-methylphenyl)decanediamide
CID 143191869
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481
1-(3,5-dimethylphenyl)-3-(3-hydroxypropyl)thiourea
CID 2171398
4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182534
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
methyl 5-[[amino-(3,5-dimethylanilino)methylidene]amino]pentanoate
CID 111086101
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628

Frequently Asked Questions

What is the IUPAC name of 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine?
The IUPAC name of 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine (CID 143601433) is 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine.
What is the SMILES notation for 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine?
The canonical SMILES for 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine is C=C(CCCCCCCCC(=C)Nc1cc(C)cc(C)c1)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine?
The InChIKey is LDZHFUJMGUEKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2/c1-21-15-22(2)18-27(17-21)29-25(5)13-11-9-7-8-10-12-14-26(6)30-28-19-23(3)16-24(4)20-28/h15-20,29-30H,5-14H2,1-4H3.
What are the key properties of 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine?
2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine has a molecular weight of 404.64 g/mol, XLogP of 8.59, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine is sourced from PubChem (CID 143601433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).