5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine

C14H30N2 — CID 137381493

IUPAC5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine
SMILESC=C(C)C(C)C(C(C)CC(C)CN)N(C)C
InChIInChI=1S/C14H30N2/c1-10(2)13(5)14(16(6)7)12(4)8-11(3)9-15/h11-14H,1,8-9,15H2,2-7H3
InChIKeyLOMPYQCPJLZPDR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.75
Rot. Bonds7

About 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine

5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine (PubChem CID 137381493) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine.

Molecular Properties

Compound Name5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine
PubChem CID137381493
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine
SMILESC=C(C)C(C)C(C(C)CC(C)CN)N(C)C
InChIInChI=1S/C14H30N2/c1-10(2)13(5)14(16(6)7)12(4)8-11(3)9-15/h11-14H,1,8-9,15H2,2-7H3
InChIKeyLOMPYQCPJLZPDR-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.75
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 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine?
The IUPAC name of 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine (CID 137381493) is 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine.
What is the SMILES notation for 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine?
The canonical SMILES for 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine is C=C(C)C(C)C(C(C)CC(C)CN)N(C)C.
What is the InChIKey of 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine?
The InChIKey is LOMPYQCPJLZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-10(2)13(5)14(16(6)7)12(4)8-11(3)9-15/h11-14H,1,8-9,15H2,2-7H3.
What are the key properties of 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine?
5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine is sourced from PubChem (CID 137381493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).