4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine

C27H42N2 — CID 158976390

IUPAC4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine
SMILESCCC(C)C(N)(NC)C(CCCCCc1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C27H42N2/c1-6-23(4)27(28,29-5)26(22(2)3,25-19-13-8-14-20-25)21-15-9-12-18-24-16-10-7-11-17-24/h7-8,10-11,13-14,16-17,19-20,22-23,29H,6,9,12,15,18,21,28H2,1-5H3
InChIKeyJOLILTKLNFZBJO-UHFFFAOYSA-N
MW394.65 g/mol
LogP6.30
Rot. Bonds12

About 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine

4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine (PubChem CID 158976390) has the molecular formula C27H42N2 and a molecular weight of 394.65 g/mol. Its IUPAC name is 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine.

Molecular Properties

Compound Name4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine
PubChem CID158976390
Molecular FormulaC27H42N2
Molecular Weight394.65 g/mol
Exact Mass394.33
IUPAC Name4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine
SMILESCCC(C)C(N)(NC)C(CCCCCc1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C27H42N2/c1-6-23(4)27(28,29-5)26(22(2)3,25-19-13-8-14-20-25)21-15-9-12-18-24-16-10-7-11-17-24/h7-8,10-11,13-14,16-17,19-20,22-23,29H,6,9,12,15,18,21,28H2,1-5H3
InChIKeyJOLILTKLNFZBJO-UHFFFAOYSA-N
XLogP6.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 56.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine?
The IUPAC name of 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine (CID 158976390) is 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine.
What is the SMILES notation for 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine?
The canonical SMILES for 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine is CCC(C)C(N)(NC)C(CCCCCc1ccccc1)(c1ccccc1)C(C)C.
What is the InChIKey of 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine?
The InChIKey is JOLILTKLNFZBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2/c1-6-23(4)27(28,29-5)26(22(2)3,25-19-13-8-14-20-25)21-15-9-12-18-24-16-10-7-11-17-24/h7-8,10-11,13-14,16-17,19-20,22-23,29H,6,9,12,15,18,21,28H2,1-5H3.
What are the key properties of 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine?
4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine has a molecular weight of 394.65 g/mol, XLogP of 6.30, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',3-dimethyl-5,10-diphenyl-5-propan-2-yldecane-4,4-diamine is sourced from PubChem (CID 158976390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).