3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine

C13H28N2 — CID 79062164

IUPAC3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine
SMILESC=CCCC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C13H28N2/c1-7-10-11-12(14-4)13(8-2,9-3)15(5)6/h7,12,14H,1,8-11H2,2-6H3
InChIKeyNFENQPHKIWJONU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds8

About 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine

3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine (PubChem CID 79062164) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine
PubChem CID79062164
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine
SMILESC=CCCC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C13H28N2/c1-7-10-11-12(14-4)13(8-2,9-3)15(5)6/h7,12,14H,1,8-11H2,2-6H3
InChIKeyNFENQPHKIWJONU-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine
CID 79062384
N,3,3-trimethyloct-7-en-4-amine
CID 104987331
3-N,3-N,3-triethyl-4-N-methylnon-8-ene-3,4-diamine
CID 79068358
3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
CID 79062379
3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79061629
3-N,3-N,4-N,3-tetramethylhept-6-ene-3,4-diamine
CID 79063149
3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine
CID 79568715
3-ethyl-4-hydrazinyl-N,N,8-trimethylnonan-3-amine
CID 105241898
3-ethyl-3-N,3-N,4-N-trimethyloct-6-yne-3,4-diamine
CID 79061875
4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 79062661
N,3-dimethyl-3-morpholin-4-yloct-7-en-4-amine
CID 79065641
2-(azepan-1-yl)-N,2-dimethylhept-6-en-3-amine
CID 79050662

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine (CID 79062164) is 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine is C=CCCC(NC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine?
The InChIKey is NFENQPHKIWJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-10-11-12(14-4)13(8-2,9-3)15(5)6/h7,12,14H,1,8-11H2,2-6H3.
What are the key properties of 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine?
3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine is sourced from PubChem (CID 79062164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).