2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine

C18H40N2 — CID 79053578

IUPAC2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
SMILESCCCCCCCCCC(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C18H40N2/c1-7-10-11-12-13-14-15-16-17(19-6)18(4,5)20(8-2)9-3/h17,19H,7-16H2,1-6H3
InChIKeyMZZPOQMZWNKSCO-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.84
Rot. Bonds13

About 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine

2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine (PubChem CID 79053578) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
PubChem CID79053578
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
SMILESCCCCCCCCCC(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C18H40N2/c1-7-10-11-12-13-14-15-16-17(19-6)18(4,5)20(8-2)9-3/h17,19H,7-16H2,1-6H3
InChIKeyMZZPOQMZWNKSCO-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.84
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

2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine
CID 114856169
N,3,3-trimethylhexadecan-4-amine
CID 115846506
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
CID 114475156
1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
CID 151707623
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine (CID 79053578) is 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine is CCCCCCCCCC(NC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine?
The InChIKey is MZZPOQMZWNKSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-7-10-11-12-13-14-15-16-17(19-6)18(4,5)20(8-2)9-3/h17,19H,7-16H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine?
2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.84, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine is sourced from PubChem (CID 79053578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).