15,15-dimethylnonacosan-10-amine

C31H65N — CID 175397632

IUPAC15,15-dimethylnonacosan-10-amine
SMILESCCCCCCCCCCCCCCC(C)(C)CCCCC(N)CCCCCCCCC
InChIInChI=1S/C31H65N/c1-5-7-9-11-13-14-15-16-17-19-21-24-28-31(3,4)29-25-23-27-30(32)26-22-20-18-12-10-8-6-2/h30H,5-29,32H2,1-4H3
InChIKeyPKEAENKKXNSNBZ-UHFFFAOYSA-N
MW451.87 g/mol
LogP11.13
Rot. Bonds26

About 15,15-dimethylnonacosan-10-amine

15,15-dimethylnonacosan-10-amine (PubChem CID 175397632) has the molecular formula C31H65N and a molecular weight of 451.87 g/mol. Its IUPAC name is 15,15-dimethylnonacosan-10-amine.

Molecular Properties

Compound Name15,15-dimethylnonacosan-10-amine
PubChem CID175397632
Molecular FormulaC31H65N
Molecular Weight451.87 g/mol
Exact Mass451.51
IUPAC Name15,15-dimethylnonacosan-10-amine
SMILESCCCCCCCCCCCCCCC(C)(C)CCCCC(N)CCCCCCCCC
InChIInChI=1S/C31H65N/c1-5-7-9-11-13-14-15-16-17-19-21-24-28-31(3,4)29-25-23-27-30(32)26-22-20-18-12-10-8-6-2/h30H,5-29,32H2,1-4H3
InChIKeyPKEAENKKXNSNBZ-UHFFFAOYSA-N
XLogP11.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.87
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
16,16,21,21-tetramethylhexatriacontane
CID 174880889
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
4,4-dimethyltridecan-1-amine
CID 172686024
(4R)-tridecan-4-amine
CID 150614684
1,1,1-trifluorotetradecan-4-amine
CID 79954086
icosane-5,10,16-triamine
CID 88870264
3,3-dimethylpentadecan-1-amine
CID 81014127
4,4-dimethyldodecan-2-amine
CID 64715723
decan-4-amine;hydrochloride
CID 87728109

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethylnonacosan-10-amine?
The IUPAC name of 15,15-dimethylnonacosan-10-amine (CID 175397632) is 15,15-dimethylnonacosan-10-amine.
What is the SMILES notation for 15,15-dimethylnonacosan-10-amine?
The canonical SMILES for 15,15-dimethylnonacosan-10-amine is CCCCCCCCCCCCCCC(C)(C)CCCCC(N)CCCCCCCCC.
What is the InChIKey of 15,15-dimethylnonacosan-10-amine?
The InChIKey is PKEAENKKXNSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65N/c1-5-7-9-11-13-14-15-16-17-19-21-24-28-31(3,4)29-25-23-27-30(32)26-22-20-18-12-10-8-6-2/h30H,5-29,32H2,1-4H3.
What are the key properties of 15,15-dimethylnonacosan-10-amine?
15,15-dimethylnonacosan-10-amine has a molecular weight of 451.87 g/mol, XLogP of 11.13, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethylnonacosan-10-amine is sourced from PubChem (CID 175397632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).