N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine

C44H92N2 — CID 170755235

IUPACN-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCN(C)CCN(CCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C44H92N2/c1-5-8-11-14-17-20-23-26-28-31-34-37-40-45(4)43-44-46(41-38-35-32-29-25-22-19-16-13-10-7-3)42-39-36-33-30-27-24-21-18-15-12-9-6-2/h5-44H2,1-4H3
InChIKeyJJAAWILYDJHLBS-UHFFFAOYSA-N
MW649.23 g/mol
LogP14.93
Rot. Bonds41

About N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine

N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine (PubChem CID 170755235) has the molecular formula C44H92N2 and a molecular weight of 649.23 g/mol. Its IUPAC name is N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
PubChem CID170755235
Molecular FormulaC44H92N2
Molecular Weight649.23 g/mol
Exact Mass648.73
IUPAC NameN-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCN(C)CCN(CCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C44H92N2/c1-5-8-11-14-17-20-23-26-28-31-34-37-40-45(4)43-44-46(41-38-35-32-29-25-22-19-16-13-10-7-3)42-39-36-33-30-27-24-21-18-15-12-9-6-2/h5-44H2,1-4H3
InChIKeyJJAAWILYDJHLBS-UHFFFAOYSA-N
XLogP14.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds41
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.23
LogP ≤ 514.93
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'-[2-(dioctylamino)ethyl]-N,N,N'-trioctylethane-1,2-diamine
CID 88792615
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'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine
CID 150336952
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine?
The IUPAC name of N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine (CID 170755235) is N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine?
The canonical SMILES for N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine is CCCCCCCCCCCCCCN(C)CCN(CCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine?
The InChIKey is JJAAWILYDJHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H92N2/c1-5-8-11-14-17-20-23-26-28-31-34-37-40-45(4)43-44-46(41-38-35-32-29-25-22-19-16-13-10-7-3)42-39-36-33-30-27-24-21-18-15-12-9-6-2/h5-44H2,1-4H3.
What are the key properties of N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine?
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine has a molecular weight of 649.23 g/mol, XLogP of 14.93, 41 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine is sourced from PubChem (CID 170755235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).