N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine

C30H64N2 — CID 174256295

IUPACN',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
SMILESCCCCCCCCCCC(CCCCCCCC)CCCCCCCNCCN(C)C
InChIInChI=1S/C30H64N2/c1-5-7-9-11-13-14-17-21-25-30(24-20-16-12-10-8-6-2)26-22-18-15-19-23-27-31-28-29-32(3)4/h30-31H,5-29H2,1-4H3
InChIKeyYYJVXOVMVYOXNA-UHFFFAOYSA-N
MW452.86 g/mol
LogP9.38
Rot. Bonds27

About N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine

N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine (PubChem CID 174256295) has the molecular formula C30H64N2 and a molecular weight of 452.86 g/mol. Its IUPAC name is N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
PubChem CID174256295
Molecular FormulaC30H64N2
Molecular Weight452.86 g/mol
Exact Mass452.51
IUPAC NameN',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
SMILESCCCCCCCCCCC(CCCCCCCC)CCCCCCCNCCN(C)C
InChIInChI=1S/C30H64N2/c1-5-7-9-11-13-14-17-21-25-30(24-20-16-12-10-8-6-2)26-22-18-15-19-23-27-31-28-29-32(3)4/h30-31H,5-29H2,1-4H3
InChIKeyYYJVXOVMVYOXNA-UHFFFAOYSA-N
XLogP9.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.86
LogP ≤ 59.38
H-Bond Donors ≤ 51
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'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
N-butyl-4-hexyldocosan-1-amine
CID 172700029
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
2-hexyldecyl 9-[2-(dimethylamino)ethylamino]nonanoate
CID 177227224
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
CID 154328123
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine (CID 174256295) is N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine is CCCCCCCCCCC(CCCCCCCC)CCCCCCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine?
The InChIKey is YYJVXOVMVYOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N2/c1-5-7-9-11-13-14-17-21-25-30(24-20-16-12-10-8-6-2)26-22-18-15-19-23-27-31-28-29-32(3)4/h30-31H,5-29H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine has a molecular weight of 452.86 g/mol, XLogP of 9.38, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine is sourced from PubChem (CID 174256295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).