9,9,10-triethyldodecane-1,10-diamine

C18H40N2 — CID 22292334

IUPAC9,9,10-triethyldodecane-1,10-diamine
SMILESCCC(N)(CC)C(CC)(CC)CCCCCCCCN
InChIInChI=1S/C18H40N2/c1-5-17(6-2,18(20,7-3)8-4)15-13-11-9-10-12-14-16-19/h5-16,19-20H2,1-4H3
InChIKeyGQTAGQKILICGEI-UHFFFAOYSA-N
MW284.53 g/mol
LogP5.00
Rot. Bonds13

About 9,9,10-triethyldodecane-1,10-diamine

9,9,10-triethyldodecane-1,10-diamine (PubChem CID 22292334) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 9,9,10-triethyldodecane-1,10-diamine.

Molecular Properties

Compound Name9,9,10-triethyldodecane-1,10-diamine
PubChem CID22292334
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name9,9,10-triethyldodecane-1,10-diamine
SMILESCCC(N)(CC)C(CC)(CC)CCCCCCCCN
InChIInChI=1S/C18H40N2/c1-5-17(6-2,18(20,7-3)8-4)15-13-11-9-10-12-14-16-19/h5-16,19-20H2,1-4H3
InChIKeyGQTAGQKILICGEI-UHFFFAOYSA-N
XLogP5.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

18,18-diethylicosan-1-amine
CID 87504312
6,6,7,7,8-pentadodecylicosane-1,8-diamine;dihydroiodide
CID 173212033
11-methyldodecane-1,11-diamine;propane
CID 145179809
1,1-dichlorooctane-1,8-diamine
CID 54561290
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
3,3-diethyl-2-methylheptadecan-2-amine
CID 139431028
hexane-1,5,5-triamine
CID 23298659
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
4-pentadecylheptane-1,4,7-triamine
CID 156536321
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
CID 151262909

Frequently Asked Questions

What is the IUPAC name of 9,9,10-triethyldodecane-1,10-diamine?
The IUPAC name of 9,9,10-triethyldodecane-1,10-diamine (CID 22292334) is 9,9,10-triethyldodecane-1,10-diamine.
What is the SMILES notation for 9,9,10-triethyldodecane-1,10-diamine?
The canonical SMILES for 9,9,10-triethyldodecane-1,10-diamine is CCC(N)(CC)C(CC)(CC)CCCCCCCCN.
What is the InChIKey of 9,9,10-triethyldodecane-1,10-diamine?
The InChIKey is GQTAGQKILICGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-5-17(6-2,18(20,7-3)8-4)15-13-11-9-10-12-14-16-19/h5-16,19-20H2,1-4H3.
What are the key properties of 9,9,10-triethyldodecane-1,10-diamine?
9,9,10-triethyldodecane-1,10-diamine has a molecular weight of 284.53 g/mol, XLogP of 5.00, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-triethyldodecane-1,10-diamine is sourced from PubChem (CID 22292334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).