N,N-di(nonadecan-2-yl)nonadecan-2-amine

C57H117N — CID 19594136

IUPACN,N-di(nonadecan-2-yl)nonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C)N(C(C)CCCCCCCCCCCCCCCCC)C(C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H117N/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(4)58(56(5)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)57(6)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h55-57H,7-54H2,1-6H3
InChIKeyNQIJBDAZXNSKHJ-UHFFFAOYSA-N
MW816.57 g/mol
LogP21.24
Rot. Bonds51

About N,N-di(nonadecan-2-yl)nonadecan-2-amine

N,N-di(nonadecan-2-yl)nonadecan-2-amine (PubChem CID 19594136) has the molecular formula C57H117N and a molecular weight of 816.57 g/mol. Its IUPAC name is N,N-di(nonadecan-2-yl)nonadecan-2-amine.

Molecular Properties

Compound NameN,N-di(nonadecan-2-yl)nonadecan-2-amine
PubChem CID19594136
Molecular FormulaC57H117N
Molecular Weight816.57 g/mol
Exact Mass815.92
IUPAC NameN,N-di(nonadecan-2-yl)nonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C)N(C(C)CCCCCCCCCCCCCCCCC)C(C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H117N/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(4)58(56(5)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)57(6)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h55-57H,7-54H2,1-6H3
InChIKeyNQIJBDAZXNSKHJ-UHFFFAOYSA-N
XLogP21.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds51
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.57
LogP ≤ 521.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(decan-2-yl)decan-2-amine;hydrobromide
CID 173437126
N,N-dihydroxyoctadecan-2-amine
CID 19777704
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N-nonan-2-yl-N-propylnonan-2-amine
CID 134607063
8,9-dimethylhexacosane
CID 160651612
2-methyloctacosane
CID 519147
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
2-methylpentaoctacontane
CID 90745672
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of N,N-di(nonadecan-2-yl)nonadecan-2-amine?
The IUPAC name of N,N-di(nonadecan-2-yl)nonadecan-2-amine (CID 19594136) is N,N-di(nonadecan-2-yl)nonadecan-2-amine.
What is the SMILES notation for N,N-di(nonadecan-2-yl)nonadecan-2-amine?
The canonical SMILES for N,N-di(nonadecan-2-yl)nonadecan-2-amine is CCCCCCCCCCCCCCCCCC(C)N(C(C)CCCCCCCCCCCCCCCCC)C(C)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N,N-di(nonadecan-2-yl)nonadecan-2-amine?
The InChIKey is NQIJBDAZXNSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H117N/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(4)58(56(5)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)57(6)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h55-57H,7-54H2,1-6H3.
What are the key properties of N,N-di(nonadecan-2-yl)nonadecan-2-amine?
N,N-di(nonadecan-2-yl)nonadecan-2-amine has a molecular weight of 816.57 g/mol, XLogP of 21.24, 51 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(nonadecan-2-yl)nonadecan-2-amine is sourced from PubChem (CID 19594136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).