N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine

C35H74N2 — CID 159993444

IUPACN,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(C)CCCCCCCCCCCCC.CN(C)C1CCCCC1
InChIInChI=1S/C27H57N.C8H17N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28(3)27-25-23-21-19-17-15-13-11-9-7-5-2;1-9(2)8-6-4-3-5-7-8/h4-27H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyOHFXTHNTWIRNLQ-UHFFFAOYSA-N
MW522.99 g/mol
LogP11.42
Rot. Bonds25

About N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine

N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine (PubChem CID 159993444) has the molecular formula C35H74N2 and a molecular weight of 522.99 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
PubChem CID159993444
Molecular FormulaC35H74N2
Molecular Weight522.99 g/mol
Exact Mass522.59
IUPAC NameN,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(C)CCCCCCCCCCCCC.CN(C)C1CCCCC1
InChIInChI=1S/C27H57N.C8H17N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28(3)27-25-23-21-19-17-15-13-11-9-7-5-2;1-9(2)8-6-4-3-5-7-8/h4-27H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyOHFXTHNTWIRNLQ-UHFFFAOYSA-N
XLogP11.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.99
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
1,1-dicyclohexyl-2,2-dihexylhydrazine
CID 57459761

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine?
The IUPAC name of N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine (CID 159993444) is N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine.
What is the SMILES notation for N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine?
The canonical SMILES for N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine is CCCCCCCCCCCCCN(C)CCCCCCCCCCCCC.CN(C)C1CCCCC1.
What is the InChIKey of N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine?
The InChIKey is OHFXTHNTWIRNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N.C8H17N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28(3)27-25-23-21-19-17-15-13-11-9-7-5-2;1-9(2)8-6-4-3-5-7-8/h4-27H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine?
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine has a molecular weight of 522.99 g/mol, XLogP of 11.42, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine is sourced from PubChem (CID 159993444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).