(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine

C12H22N2 — CID 100988529

IUPAC(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
SMILESC=CC(C)C(N)/C=C/C(N)C(C)C=C
InChIInChI=1S/C12H22N2/c1-5-9(3)11(13)7-8-12(14)10(4)6-2/h5-12H,1-2,13-14H2,3-4H3/b8-7+
InChIKeyYVHHGNNOJHMCBE-BQYQJAHWSA-N
MW194.32 g/mol
LogP1.84
Rot. Bonds6

About (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine

(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine (PubChem CID 100988529) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine.

Molecular Properties

Compound Name(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
PubChem CID100988529
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
SMILESC=CC(C)C(N)/C=C/C(N)C(C)C=C
InChIInChI=1S/C12H22N2/c1-5-9(3)11(13)7-8-12(14)10(4)6-2/h5-12H,1-2,13-14H2,3-4H3/b8-7+
InChIKeyYVHHGNNOJHMCBE-BQYQJAHWSA-N
XLogP1.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.84
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 (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine?
The IUPAC name of (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine (CID 100988529) is (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine.
What is the SMILES notation for (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine?
The canonical SMILES for (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine is C=CC(C)C(N)/C=C/C(N)C(C)C=C.
What is the InChIKey of (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine?
The InChIKey is YVHHGNNOJHMCBE-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-9(3)11(13)7-8-12(14)10(4)6-2/h5-12H,1-2,13-14H2,3-4H3/b8-7+.
What are the key properties of (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine?
(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine is sourced from PubChem (CID 100988529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).