(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine

C20H42N2 — CID 166686759

IUPAC(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine
SMILESCC/C=C(/NC(C(C)CC)C(C)CC(C)C)C(NC)C(C)C
InChIInChI=1S/C20H42N2/c1-10-12-18(19(21-9)15(5)6)22-20(16(7)11-2)17(8)13-14(3)4/h12,14-17,19-22H,10-11,13H2,1-9H3/b18-12+
InChIKeyDTVFBELGEVEMNZ-LDADJPATSA-N
MW310.57 g/mol
LogP5.21
Rot. Bonds11

About (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine

(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine (PubChem CID 166686759) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine.

Molecular Properties

Compound Name(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine
PubChem CID166686759
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine
SMILESCC/C=C(/NC(C(C)CC)C(C)CC(C)C)C(NC)C(C)C
InChIInChI=1S/C20H42N2/c1-10-12-18(19(21-9)15(5)6)22-20(16(7)11-2)17(8)13-14(3)4/h12,14-17,19-22H,10-11,13H2,1-9H3/b18-12+
InChIKeyDTVFBELGEVEMNZ-LDADJPATSA-N
XLogP5.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine?
The IUPAC name of (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine (CID 166686759) is (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine.
What is the SMILES notation for (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine?
The canonical SMILES for (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine is CC/C=C(/NC(C(C)CC)C(C)CC(C)C)C(NC)C(C)C.
What is the InChIKey of (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine?
The InChIKey is DTVFBELGEVEMNZ-LDADJPATSA-N. The full InChI is InChI=1S/C20H42N2/c1-10-12-18(19(21-9)15(5)6)22-20(16(7)11-2)17(8)13-14(3)4/h12,14-17,19-22H,10-11,13H2,1-9H3/b18-12+.
What are the key properties of (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine?
(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.21, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine is sourced from PubChem (CID 166686759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).