N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine

C35H76N2 — CID 23134819

IUPACN,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CCCCCCCCCCCC.CCCCCCCCN(C)C
InChIInChI=1S/C25H53N.C10H23N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2;1-4-5-6-7-8-9-10-11(2)3/h4-25H2,1-3H3;4-10H2,1-3H3
InChIKeyYYVHIKWKDYLOPY-UHFFFAOYSA-N
MW525.01 g/mol
LogP11.67
Rot. Bonds29

About N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine

N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine (PubChem CID 23134819) has the molecular formula C35H76N2 and a molecular weight of 525.01 g/mol. Its IUPAC name is N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine.

Molecular Properties

Compound NameN,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
PubChem CID23134819
Molecular FormulaC35H76N2
Molecular Weight525.01 g/mol
Exact Mass524.60
IUPAC NameN,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CCCCCCCCCCCC.CCCCCCCCN(C)C
InChIInChI=1S/C25H53N.C10H23N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2;1-4-5-6-7-8-9-10-11(2)3/h4-25H2,1-3H3;4-10H2,1-3H3
InChIKeyYYVHIKWKDYLOPY-UHFFFAOYSA-N
XLogP11.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.01
LogP ≤ 511.67
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,N-dimethyloctan-1-amine
CID 161279104
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-hexadecyl-N-methylicosan-1-amine
CID 21242596
N,N-dimethylnonadecan-1-amine
CID 546994
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine?
The IUPAC name of N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine (CID 23134819) is N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine.
What is the SMILES notation for N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine?
The canonical SMILES for N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine is CCCCCCCCCCCCN(C)CCCCCCCCCCCC.CCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine?
The InChIKey is YYVHIKWKDYLOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N.C10H23N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2;1-4-5-6-7-8-9-10-11(2)3/h4-25H2,1-3H3;4-10H2,1-3H3.
What are the key properties of N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine?
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine has a molecular weight of 525.01 g/mol, XLogP of 11.67, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine is sourced from PubChem (CID 23134819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).