N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine

C28H60N2 — CID 19772875

IUPACN,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
SMILESCCCCCCCCN(C)CCCCCCCCCCN(C)CCCCCCCC
InChIInChI=1S/C28H60N2/c1-5-7-9-11-17-21-25-29(3)27-23-19-15-13-14-16-20-24-28-30(4)26-22-18-12-10-8-6-2/h5-28H2,1-4H3
InChIKeySBOKOPMDKLNRFB-UHFFFAOYSA-N
MW424.80 g/mol
LogP8.69
Rot. Bonds25

About N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine

N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine (PubChem CID 19772875) has the molecular formula C28H60N2 and a molecular weight of 424.80 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
PubChem CID19772875
Molecular FormulaC28H60N2
Molecular Weight424.80 g/mol
Exact Mass424.48
IUPAC NameN,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
SMILESCCCCCCCCN(C)CCCCCCCCCCN(C)CCCCCCCC
InChIInChI=1S/C28H60N2/c1-5-7-9-11-17-21-25-29(3)27-23-19-15-13-14-16-20-24-28-30(4)26-22-18-12-10-8-6-2/h5-28H2,1-4H3
InChIKeySBOKOPMDKLNRFB-UHFFFAOYSA-N
XLogP8.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.80
LogP ≤ 58.69
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-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
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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-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,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine (CID 19772875) is N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine is CCCCCCCCN(C)CCCCCCCCCCN(C)CCCCCCCC.
What is the InChIKey of N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine?
The InChIKey is SBOKOPMDKLNRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2/c1-5-7-9-11-17-21-25-29(3)27-23-19-15-13-14-16-20-24-28-30(4)26-22-18-12-10-8-6-2/h5-28H2,1-4H3.
What are the key properties of N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine?
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine has a molecular weight of 424.80 g/mol, XLogP of 8.69, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine is sourced from PubChem (CID 19772875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).