2,2-dimethyl-N-octadecyloctadecan-1-amine

C38H79N — CID 172556284

IUPAC2,2-dimethyl-N-octadecyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCC(C)(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C38H79N/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-37-38(3,4)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h39H,5-37H2,1-4H3
InChIKeyJSUGLWFOZXBBSM-UHFFFAOYSA-N
MW550.06 g/mol
LogP13.74
Rot. Bonds34

About 2,2-dimethyl-N-octadecyloctadecan-1-amine

2,2-dimethyl-N-octadecyloctadecan-1-amine (PubChem CID 172556284) has the molecular formula C38H79N and a molecular weight of 550.06 g/mol. Its IUPAC name is 2,2-dimethyl-N-octadecyloctadecan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-octadecyloctadecan-1-amine
PubChem CID172556284
Molecular FormulaC38H79N
Molecular Weight550.06 g/mol
Exact Mass549.62
IUPAC Name2,2-dimethyl-N-octadecyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCC(C)(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C38H79N/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-37-38(3,4)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h39H,5-37H2,1-4H3
InChIKeyJSUGLWFOZXBBSM-UHFFFAOYSA-N
XLogP13.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.06
LogP ≤ 513.74
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

2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
N,2,2-trimethyloctan-1-amine
CID 62723717
4-(decylamino)-3,3-dimethylbutanenitrile
CID 21082820
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-octadecyloctadecan-1-amine?
The IUPAC name of 2,2-dimethyl-N-octadecyloctadecan-1-amine (CID 172556284) is 2,2-dimethyl-N-octadecyloctadecan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-octadecyloctadecan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-octadecyloctadecan-1-amine is CCCCCCCCCCCCCCCCCCNCC(C)(C)CCCCCCCCCCCCCCCC.
What is the InChIKey of 2,2-dimethyl-N-octadecyloctadecan-1-amine?
The InChIKey is JSUGLWFOZXBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H79N/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-37-38(3,4)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h39H,5-37H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-octadecyloctadecan-1-amine?
2,2-dimethyl-N-octadecyloctadecan-1-amine has a molecular weight of 550.06 g/mol, XLogP of 13.74, 34 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-octadecyloctadecan-1-amine is sourced from PubChem (CID 172556284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).