(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine

C14H28N2 — CID 163656366

IUPAC(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine
SMILESCC/C=C\[C@H](C)[C@H](C)C(C)C/C(=C\N)NC
InChIInChI=1S/C14H28N2/c1-6-7-8-11(2)13(4)12(3)9-14(10-15)16-5/h7-8,10-13,16H,6,9,15H2,1-5H3/b8-7-,14-10+/t11-,12?,13-/m0/s1
InChIKeyIQOJYIODPDXLFC-KPAGQBKFSA-N
MW224.39 g/mol
LogP3.27
Rot. Bonds7

About (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine

(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine (PubChem CID 163656366) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine.

Molecular Properties

Compound Name(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine
PubChem CID163656366
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine
SMILESCC/C=C\[C@H](C)[C@H](C)C(C)C/C(=C\N)NC
InChIInChI=1S/C14H28N2/c1-6-7-8-11(2)13(4)12(3)9-14(10-15)16-5/h7-8,10-13,16H,6,9,15H2,1-5H3/b8-7-,14-10+/t11-,12?,13-/m0/s1
InChIKeyIQOJYIODPDXLFC-KPAGQBKFSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
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 (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine?
The IUPAC name of (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine (CID 163656366) is (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine.
What is the SMILES notation for (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine?
The canonical SMILES for (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine is CC/C=C\[C@H](C)[C@H](C)C(C)C/C(=C\N)NC.
What is the InChIKey of (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine?
The InChIKey is IQOJYIODPDXLFC-KPAGQBKFSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-8-11(2)13(4)12(3)9-14(10-15)16-5/h7-8,10-13,16H,6,9,15H2,1-5H3/b8-7-,14-10+/t11-,12?,13-/m0/s1.
What are the key properties of (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine?
(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine is sourced from PubChem (CID 163656366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).