1-N,1-N-diethylhexadecane-1,2-diamine

C20H44N2 — CID 10403265

IUPAC1-N,1-N-diethylhexadecane-1,2-diamine
SMILESCCCCCCCCCCCCCCC(N)CN(CC)CC
InChIInChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
InChIKeyUOERQNNPROAOGM-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.75
Rot. Bonds17

About 1-N,1-N-diethylhexadecane-1,2-diamine

1-N,1-N-diethylhexadecane-1,2-diamine (PubChem CID 10403265) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 1-N,1-N-diethylhexadecane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethylhexadecane-1,2-diamine
PubChem CID10403265
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name1-N,1-N-diethylhexadecane-1,2-diamine
SMILESCCCCCCCCCCCCCCC(N)CN(CC)CC
InChIInChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
InChIKeyUOERQNNPROAOGM-UHFFFAOYSA-N
XLogP5.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.75
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-Bis(3-aminopropyl)dodecylamine
CID 75407
1,2-Ethanediamine, N-(2-aminoethyl)-N'-dodecyl-
CID 77291
N-[2-(piperazin-1-yl)ethyl]cyclododecanamine
CID 921367
N-dodecylethylenediamine
CID 10561362
1-N-dodecylbutane-1,2,4-triamine
CID 10588206
N'-tetradecylethane-1,2-diamine
CID 263205
Piperazine, 1-dodecyl-
CID 4284268
1-Octadecanamine, N-(1-methylethyl)-
CID 25883
Xinjunan
CID 93665
1-N-dodecylpentane-1,2,5-triamine
CID 10108024
1-N-tetradecylhexane-1,2,6-triamine
CID 10520292
1-N-dodecylhexane-1,2,6-triamine
CID 10637910

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethylhexadecane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethylhexadecane-1,2-diamine (CID 10403265) is 1-N,1-N-diethylhexadecane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethylhexadecane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethylhexadecane-1,2-diamine is CCCCCCCCCCCCCCC(N)CN(CC)CC.
What is the InChIKey of 1-N,1-N-diethylhexadecane-1,2-diamine?
The InChIKey is UOERQNNPROAOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3.
What are the key properties of 1-N,1-N-diethylhexadecane-1,2-diamine?
1-N,1-N-diethylhexadecane-1,2-diamine has a molecular weight of 312.59 g/mol, XLogP of 5.75, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethylhexadecane-1,2-diamine is sourced from PubChem (CID 10403265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).