N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine

C66H138N2 — CID 172776346

IUPACN-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H77N.C29H61N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3;4-29H2,1-3H3
InChIKeyNQLOZTXWISAMRK-UHFFFAOYSA-N
MW959.84 g/mol
LogP23.76
Rot. Bonds60

About N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine

N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine (PubChem CID 172776346) has the molecular formula C66H138N2 and a molecular weight of 959.84 g/mol. Its IUPAC name is N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine.

Molecular Properties

Compound NameN-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
PubChem CID172776346
Molecular FormulaC66H138N2
Molecular Weight959.84 g/mol
Exact Mass959.09
IUPAC NameN-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCC
InChIInChI=1S/C37H77N.C29H61N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3;4-29H2,1-3H3
InChIKeyNQLOZTXWISAMRK-UHFFFAOYSA-N
XLogP23.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds60
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.84
LogP ≤ 523.76
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-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-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-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-methyl-N-propyldecan-1-amine
CID 13122225
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine?
The IUPAC name of N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine (CID 172776346) is N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine.
What is the SMILES notation for N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine?
The canonical SMILES for N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine is CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine?
The InChIKey is NQLOZTXWISAMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N.C29H61N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3;4-29H2,1-3H3.
What are the key properties of N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine?
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine has a molecular weight of 959.84 g/mol, XLogP of 23.76, 60 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine is sourced from PubChem (CID 172776346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).