2-N,2-N'-dimethyloct-3-ene-2,2-diamine

C10H22N2 — CID 91498608

IUPAC2-N,2-N'-dimethyloct-3-ene-2,2-diamine
SMILESCCCCC=CC(C)(NC)NC
InChIInChI=1S/C10H22N2/c1-5-6-7-8-9-10(2,11-3)12-4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyMDEWFTJCIQEYEQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.89
Rot. Bonds6

About 2-N,2-N'-dimethyloct-3-ene-2,2-diamine

2-N,2-N'-dimethyloct-3-ene-2,2-diamine (PubChem CID 91498608) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N,2-N'-dimethyloct-3-ene-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-dimethyloct-3-ene-2,2-diamine
PubChem CID91498608
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N,2-N'-dimethyloct-3-ene-2,2-diamine
SMILESCCCCC=CC(C)(NC)NC
InChIInChI=1S/C10H22N2/c1-5-6-7-8-9-10(2,11-3)12-4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyMDEWFTJCIQEYEQ-UHFFFAOYSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?
The IUPAC name of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine (CID 91498608) is 2-N,2-N'-dimethyloct-3-ene-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?
The canonical SMILES for 2-N,2-N'-dimethyloct-3-ene-2,2-diamine is CCCCC=CC(C)(NC)NC.
What is the InChIKey of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?
The InChIKey is MDEWFTJCIQEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-6-7-8-9-10(2,11-3)12-4/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?
2-N,2-N'-dimethyloct-3-ene-2,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-dimethyloct-3-ene-2,2-diamine is sourced from PubChem (CID 91498608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).