5,9-diethyltridecane-6,8-diamine

C17H38N2 — CID 57146972

IUPAC5,9-diethyltridecane-6,8-diamine
SMILESCCCCC(CC)C(N)CC(N)C(CC)CCCC
InChIInChI=1S/C17H38N2/c1-5-9-11-14(7-3)16(18)13-17(19)15(8-4)12-10-6-2/h14-17H,5-13,18-19H2,1-4H3
InChIKeyQNEZYOVKHJNGGR-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.46
Rot. Bonds12

About 5,9-diethyltridecane-6,8-diamine

5,9-diethyltridecane-6,8-diamine (PubChem CID 57146972) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 5,9-diethyltridecane-6,8-diamine.

Molecular Properties

Compound Name5,9-diethyltridecane-6,8-diamine
PubChem CID57146972
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name5,9-diethyltridecane-6,8-diamine
SMILESCCCCC(CC)C(N)CC(N)C(CC)CCCC
InChIInChI=1S/C17H38N2/c1-5-9-11-14(7-3)16(18)13-17(19)15(8-4)12-10-6-2/h14-17H,5-13,18-19H2,1-4H3
InChIKeyQNEZYOVKHJNGGR-UHFFFAOYSA-N
XLogP4.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyltetradecan-6-amine
CID 115835159
6-ethyl-2-methyldec-1-en-5-amine
CID 105039210
7-ethylundec-2-yn-6-amine
CID 105037082
3-ethylheptan-2-amine
CID 61000696
5,15-diethylnonadecane-5,14-diamine
CID 15610190
4,5-diethylnonane
CID 21188862
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
6-ethyl-4-methyldecan-5-amine
CID 107893876
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
5-butyl-6-ethyldodecane
CID 529932
5,7-diethylundecan-6-ol
CID 89253066

Frequently Asked Questions

What is the IUPAC name of 5,9-diethyltridecane-6,8-diamine?
The IUPAC name of 5,9-diethyltridecane-6,8-diamine (CID 57146972) is 5,9-diethyltridecane-6,8-diamine.
What is the SMILES notation for 5,9-diethyltridecane-6,8-diamine?
The canonical SMILES for 5,9-diethyltridecane-6,8-diamine is CCCCC(CC)C(N)CC(N)C(CC)CCCC.
What is the InChIKey of 5,9-diethyltridecane-6,8-diamine?
The InChIKey is QNEZYOVKHJNGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-5-9-11-14(7-3)16(18)13-17(19)15(8-4)12-10-6-2/h14-17H,5-13,18-19H2,1-4H3.
What are the key properties of 5,9-diethyltridecane-6,8-diamine?
5,9-diethyltridecane-6,8-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diethyltridecane-6,8-diamine is sourced from PubChem (CID 57146972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).