2,9-dimethyl-N-trityldecan-5-amine

C31H41N — CID 67451317

IUPAC2,9-dimethyl-N-trityldecan-5-amine
SMILESCC(C)CCCC(CCC(C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H41N/c1-25(2)15-14-22-30(24-23-26(3)4)32-31(27-16-8-5-9-17-27,28-18-10-6-11-19-28)29-20-12-7-13-21-29/h5-13,16-21,25-26,30,32H,14-15,22-24H2,1-4H3
InChIKeyAUFHOWYVWXNZOA-UHFFFAOYSA-N
MW427.68 g/mol
LogP8.20
Rot. Bonds12

About 2,9-dimethyl-N-trityldecan-5-amine

2,9-dimethyl-N-trityldecan-5-amine (PubChem CID 67451317) has the molecular formula C31H41N and a molecular weight of 427.68 g/mol. Its IUPAC name is 2,9-dimethyl-N-trityldecan-5-amine.

Molecular Properties

Compound Name2,9-dimethyl-N-trityldecan-5-amine
PubChem CID67451317
Molecular FormulaC31H41N
Molecular Weight427.68 g/mol
Exact Mass427.32
IUPAC Name2,9-dimethyl-N-trityldecan-5-amine
SMILESCC(C)CCCC(CCC(C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H41N/c1-25(2)15-14-22-30(24-23-26(3)4)32-31(27-16-8-5-9-17-27,28-18-10-6-11-19-28)29-20-12-7-13-21-29/h5-13,16-21,25-26,30,32H,14-15,22-24H2,1-4H3
InChIKeyAUFHOWYVWXNZOA-UHFFFAOYSA-N
XLogP8.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.68
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,9-dimethyl-N-trityldecan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinacalcet
CID 156419
Fendiline
CID 3336
Terodiline
CID 23480
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Prenylamine
CID 9801
N-Benzylphenethylamine
CID 65055
Fendiline Hydrochloride
CID 5702162
Terodiline Hydrochloride
CID 23479
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzhydrylpiperazine
CID 70048
Amphetaminil
CID 28615
Norbenzphetamine
CID 102554

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-N-trityldecan-5-amine?
The IUPAC name of 2,9-dimethyl-N-trityldecan-5-amine (CID 67451317) is 2,9-dimethyl-N-trityldecan-5-amine.
What is the SMILES notation for 2,9-dimethyl-N-trityldecan-5-amine?
The canonical SMILES for 2,9-dimethyl-N-trityldecan-5-amine is CC(C)CCCC(CCC(C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,9-dimethyl-N-trityldecan-5-amine?
The InChIKey is AUFHOWYVWXNZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N/c1-25(2)15-14-22-30(24-23-26(3)4)32-31(27-16-8-5-9-17-27,28-18-10-6-11-19-28)29-20-12-7-13-21-29/h5-13,16-21,25-26,30,32H,14-15,22-24H2,1-4H3.
What are the key properties of 2,9-dimethyl-N-trityldecan-5-amine?
2,9-dimethyl-N-trityldecan-5-amine has a molecular weight of 427.68 g/mol, XLogP of 8.20, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-N-trityldecan-5-amine is sourced from PubChem (CID 67451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).