3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine

C16H34N2 — CID 79062183

IUPAC3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine
SMILESC=C(CC)CC(NCCC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H34N2/c1-8-12-17-15(13-14(5)9-2)16(10-3,11-4)18(6)7/h15,17H,5,8-13H2,1-4,6-7H3
InChIKeyXJSQJRURGWOEFP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.83
Rot. Bonds10

About 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine

3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine (PubChem CID 79062183) 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-6-methylidene-4-N-propyloctane-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine
PubChem CID79062183
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine
SMILESC=C(CC)CC(NCCC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H34N2/c1-8-12-17-15(13-14(5)9-2)16(10-3,11-4)18(6)7/h15,17H,5,8-13H2,1-4,6-7H3
InChIKeyXJSQJRURGWOEFP-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine (CID 79062183) is 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine is C=C(CC)CC(NCCC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine?
The InChIKey is XJSQJRURGWOEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-12-17-15(13-14(5)9-2)16(10-3,11-4)18(6)7/h15,17H,5,8-13H2,1-4,6-7H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine?
3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.83, 10 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-6-methylidene-4-N-propyloctane-3,4-diamine is sourced from PubChem (CID 79062183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).