3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine

C18H38N2 — CID 79067335

IUPAC3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
SMILESC=CCCCC(NCCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C18H38N2/c1-7-13-14-15-17(19-16-8-2)18(9-3,10-4)20(11-5)12-6/h7,17,19H,1,8-16H2,2-6H3
InChIKeyMWJHGSKKRHCBGU-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.61
Rot. Bonds13

About 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine

3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine (PubChem CID 79067335) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
PubChem CID79067335
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
SMILESC=CCCCC(NCCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C18H38N2/c1-7-13-14-15-17(19-16-8-2)18(9-3,10-4)20(11-5)12-6/h7,17,19H,1,8-16H2,2-6H3
InChIKeyMWJHGSKKRHCBGU-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.61
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-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79061629
3-N,3-N,3-triethyl-4-N-methylnon-8-ene-3,4-diamine
CID 79068358
3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168
3-ethyl-N-propyl-3-pyrrolidin-1-ylnon-8-en-4-amine
CID 79068007
3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
3-methyl-3-piperidin-1-yl-N-propylnon-8-en-4-amine
CID 79065087
2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
3-methoxy-3-methyl-N-propyloct-7-en-4-amine
CID 116758336
3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
CID 79067252

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine?
The IUPAC name of 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine (CID 79067335) is 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine.
What is the SMILES notation for 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine?
The canonical SMILES for 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine is C=CCCCC(NCCC)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine?
The InChIKey is MWJHGSKKRHCBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-13-14-15-17(19-16-8-2)18(9-3,10-4)20(11-5)12-6/h7,17,19H,1,8-16H2,2-6H3.
What are the key properties of 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine?
3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.61, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine is sourced from PubChem (CID 79067335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).