N-methyl-N-pentacosylpentacosan-1-amine

C51H105N — CID 118952569

IUPACN-methyl-N-pentacosylpentacosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H105N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52(3)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-51H2,1-3H3
InChIKeyHDUYQQWECQRGLT-UHFFFAOYSA-N
MW732.41 g/mol
LogP18.90
Rot. Bonds48

About N-methyl-N-pentacosylpentacosan-1-amine

N-methyl-N-pentacosylpentacosan-1-amine (PubChem CID 118952569) has the molecular formula C51H105N and a molecular weight of 732.41 g/mol. Its IUPAC name is N-methyl-N-pentacosylpentacosan-1-amine.

Molecular Properties

Compound NameN-methyl-N-pentacosylpentacosan-1-amine
PubChem CID118952569
Molecular FormulaC51H105N
Molecular Weight732.41 g/mol
Exact Mass731.82
IUPAC NameN-methyl-N-pentacosylpentacosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H105N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52(3)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-51H2,1-3H3
InChIKeyHDUYQQWECQRGLT-UHFFFAOYSA-N
XLogP18.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.41
LogP ≤ 518.90
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-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-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-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-pentacosylpentacosan-1-amine?
The IUPAC name of N-methyl-N-pentacosylpentacosan-1-amine (CID 118952569) is N-methyl-N-pentacosylpentacosan-1-amine.
What is the SMILES notation for N-methyl-N-pentacosylpentacosan-1-amine?
The canonical SMILES for N-methyl-N-pentacosylpentacosan-1-amine is CCCCCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-pentacosylpentacosan-1-amine?
The InChIKey is HDUYQQWECQRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H105N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52(3)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-51H2,1-3H3.
What are the key properties of N-methyl-N-pentacosylpentacosan-1-amine?
N-methyl-N-pentacosylpentacosan-1-amine has a molecular weight of 732.41 g/mol, XLogP of 18.90, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentacosylpentacosan-1-amine is sourced from PubChem (CID 118952569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).