N',N'-dimethyl-N-tetradecylethane-1,2-diamine

C18H40N2 — CID 15792996

IUPACN',N'-dimethyl-N-tetradecylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCNCCN(C)C
InChIInChI=1S/C18H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(2)3/h19H,4-18H2,1-3H3
InChIKeyWBUPQFRGNCUEIB-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.84
Rot. Bonds16

About N',N'-dimethyl-N-tetradecylethane-1,2-diamine

N',N'-dimethyl-N-tetradecylethane-1,2-diamine (PubChem CID 15792996) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N',N'-dimethyl-N-tetradecylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-tetradecylethane-1,2-diamine
PubChem CID15792996
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN',N'-dimethyl-N-tetradecylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCNCCN(C)C
InChIInChI=1S/C18H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(2)3/h19H,4-18H2,1-3H3
InChIKeyWBUPQFRGNCUEIB-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
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

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
N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
CID 174256295
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'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-tetradecylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-tetradecylethane-1,2-diamine (CID 15792996) is N',N'-dimethyl-N-tetradecylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-tetradecylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-tetradecylethane-1,2-diamine is CCCCCCCCCCCCCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-tetradecylethane-1,2-diamine?
The InChIKey is WBUPQFRGNCUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(2)3/h19H,4-18H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-tetradecylethane-1,2-diamine?
N',N'-dimethyl-N-tetradecylethane-1,2-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.84, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-tetradecylethane-1,2-diamine is sourced from PubChem (CID 15792996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).