3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine

C16H34N2 — CID 79061629

IUPAC3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
SMILESC=CCCCC(NCCC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H34N2/c1-7-11-12-13-15(17-14-8-2)16(9-3,10-4)18(5)6/h7,15,17H,1,8-14H2,2-6H3
InChIKeyIDRNTEKTIDGSHX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.83
Rot. Bonds11

About 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine

3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine (PubChem CID 79061629) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
PubChem CID79061629
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
SMILESC=CCCCC(NCCC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H34N2/c1-7-11-12-13-15(17-14-8-2)16(9-3,10-4)18(5)6/h7,15,17H,1,8-14H2,2-6H3
InChIKeyIDRNTEKTIDGSHX-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
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

3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79067335
3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine
CID 79062164
3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
CID 79061768
3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine
CID 79068007
3-methyl-3-piperidin-1-yl-N-propylnon-8-en-4-amine
CID 79065087
3-N,3-N,3-triethyl-4-N-methylnon-8-ene-3,4-diamine
CID 79068358
3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine
CID 79062183
2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 79062661
3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine (CID 79061629) is 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine is C=CCCCC(NCCC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine?
The InChIKey is IDRNTEKTIDGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-11-12-13-15(17-14-8-2)16(9-3,10-4)18(5)6/h7,15,17H,1,8-14H2,2-6H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine?
3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.83, 11 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-dimethyl-4-N-propylnon-8-ene-3,4-diamine is sourced from PubChem (CID 79061629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).