3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine

C17H36N2 — CID 79069310

IUPAC3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine
SMILESC=C(CC)CC(NCCC)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H36N2/c1-8-13-18-16(14-15(6)9-2)17(7,10-3)19(11-4)12-5/h16,18H,6,8-14H2,1-5,7H3
InChIKeyQWMTUJAYHJKLMM-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.22
Rot. Bonds11

About 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine

3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine (PubChem CID 79069310) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine
PubChem CID79069310
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine
SMILESC=C(CC)CC(NCCC)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H36N2/c1-8-13-18-16(14-15(6)9-2)17(7,10-3)19(11-4)12-5/h16,18H,6,8-14H2,1-5,7H3
InChIKeyQWMTUJAYHJKLMM-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.22
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-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine (CID 79069310) is 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine is C=C(CC)CC(NCCC)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine?
The InChIKey is QWMTUJAYHJKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-13-18-16(14-15(6)9-2)17(7,10-3)19(11-4)12-5/h16,18H,6,8-14H2,1-5,7H3.
What are the key properties of 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine?
3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine is sourced from PubChem (CID 79069310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).