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

C39H81N — CID 87098451

IUPACN,N-di(tridecan-2-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(C)N(C(C)CCCCCCCCCCC)C(C)CCCCCCCCCCC
InChIInChI=1S/C39H81N/c1-7-10-13-16-19-22-25-28-31-34-37(4)40(38(5)35-32-29-26-23-20-17-14-11-8-2)39(6)36-33-30-27-24-21-18-15-12-9-3/h37-39H,7-36H2,1-6H3
InChIKeyLGVRZWUJIVDINO-UHFFFAOYSA-N
MW564.08 g/mol
LogP14.22
Rot. Bonds33

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

N,N-di(tridecan-2-yl)tridecan-2-amine (PubChem CID 87098451) has the molecular formula C39H81N and a molecular weight of 564.08 g/mol. Its IUPAC name is N,N-di(tridecan-2-yl)tridecan-2-amine.

Molecular Properties

Compound NameN,N-di(tridecan-2-yl)tridecan-2-amine
PubChem CID87098451
Molecular FormulaC39H81N
Molecular Weight564.08 g/mol
Exact Mass563.64
IUPAC NameN,N-di(tridecan-2-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(C)N(C(C)CCCCCCCCCCC)C(C)CCCCCCCCCCC
InChIInChI=1S/C39H81N/c1-7-10-13-16-19-22-25-28-31-34-37(4)40(38(5)35-32-29-26-23-20-17-14-11-8-2)39(6)36-33-30-27-24-21-18-15-12-9-3/h37-39H,7-36H2,1-6H3
InChIKeyLGVRZWUJIVDINO-UHFFFAOYSA-N
XLogP14.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.08
LogP ≤ 514.22
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(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
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
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of N,N-di(tridecan-2-yl)tridecan-2-amine?
The IUPAC name of N,N-di(tridecan-2-yl)tridecan-2-amine (CID 87098451) is N,N-di(tridecan-2-yl)tridecan-2-amine.
What is the SMILES notation for N,N-di(tridecan-2-yl)tridecan-2-amine?
The canonical SMILES for N,N-di(tridecan-2-yl)tridecan-2-amine is CCCCCCCCCCCC(C)N(C(C)CCCCCCCCCCC)C(C)CCCCCCCCCCC.
What is the InChIKey of N,N-di(tridecan-2-yl)tridecan-2-amine?
The InChIKey is LGVRZWUJIVDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H81N/c1-7-10-13-16-19-22-25-28-31-34-37(4)40(38(5)35-32-29-26-23-20-17-14-11-8-2)39(6)36-33-30-27-24-21-18-15-12-9-3/h37-39H,7-36H2,1-6H3.
What are the key properties of N,N-di(tridecan-2-yl)tridecan-2-amine?
N,N-di(tridecan-2-yl)tridecan-2-amine has a molecular weight of 564.08 g/mol, XLogP of 14.22, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(tridecan-2-yl)tridecan-2-amine is sourced from PubChem (CID 87098451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).