2,2,12-triethyltetradeca-4,8-diene-1,11-diamine

C20H40N2 — CID 54170456

IUPAC2,2,12-triethyltetradeca-4,8-diene-1,11-diamine
SMILESCCC(CC)C(N)CC=CCCC=CCC(CC)(CC)CN
InChIInChI=1S/C20H40N2/c1-5-18(6-2)19(22)15-13-11-9-10-12-14-16-20(7-3,8-4)17-21/h11-14,18-19H,5-10,15-17,21-22H2,1-4H3
InChIKeyOUQSVPOFONPKHF-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.19
Rot. Bonds13

About 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine

2,2,12-triethyltetradeca-4,8-diene-1,11-diamine (PubChem CID 54170456) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine.

Molecular Properties

Compound Name2,2,12-triethyltetradeca-4,8-diene-1,11-diamine
PubChem CID54170456
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name2,2,12-triethyltetradeca-4,8-diene-1,11-diamine
SMILESCCC(CC)C(N)CC=CCCC=CCC(CC)(CC)CN
InChIInChI=1S/C20H40N2/c1-5-18(6-2)19(22)15-13-11-9-10-12-14-16-20(7-3,8-4)17-21/h11-14,18-19H,5-10,15-17,21-22H2,1-4H3
InChIKeyOUQSVPOFONPKHF-UHFFFAOYSA-N
XLogP5.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine
CID 54065889
2,11-dimethyldodeca-4,8-diene-1,11-diamine
CID 54039959
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050
2,2-diethylbutane-1,4-diamine
CID 56990406
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea
CID 54254998
2,12,12-trimethyl-13-phenyldiazenyltrideca-5,9-dien-3-amine
CID 54277946
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
(4E,8E)-2-aminoundeca-4,8-dienal
CID 88787367
7-ethyl-8,9-dimethyldec-4-ene
CID 123481723
(Z)-6,8,8-trimethylnon-3-en-1-amine
CID 129145208
2-(aminomethyl)-2-[(Z)-heptadec-8-enyl]propane-1,3-diamine
CID 87409752

Frequently Asked Questions

What is the IUPAC name of 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine?
The IUPAC name of 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine (CID 54170456) is 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine.
What is the SMILES notation for 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine?
The canonical SMILES for 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine is CCC(CC)C(N)CC=CCCC=CCC(CC)(CC)CN.
What is the InChIKey of 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine?
The InChIKey is OUQSVPOFONPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-5-18(6-2)19(22)15-13-11-9-10-12-14-16-20(7-3,8-4)17-21/h11-14,18-19H,5-10,15-17,21-22H2,1-4H3.
What are the key properties of 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine?
2,2,12-triethyltetradeca-4,8-diene-1,11-diamine has a molecular weight of 308.55 g/mol, XLogP of 5.19, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,12-triethyltetradeca-4,8-diene-1,11-diamine is sourced from PubChem (CID 54170456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).