3-N',3-N'-dimethylhex-5-ene-3,3-diamine

C8H18N2 — CID 121417447

IUPAC3-N',3-N'-dimethylhex-5-ene-3,3-diamine
SMILESC=CCC(N)(CC)N(C)C
InChIInChI=1S/C8H18N2/c1-5-7-8(9,6-2)10(3)4/h5H,1,6-7,9H2,2-4H3
InChIKeyIGVODECYIKCVBB-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.19
Rot. Bonds4

About 3-N',3-N'-dimethylhex-5-ene-3,3-diamine

3-N',3-N'-dimethylhex-5-ene-3,3-diamine (PubChem CID 121417447) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-N',3-N'-dimethylhex-5-ene-3,3-diamine.

Molecular Properties

Compound Name3-N',3-N'-dimethylhex-5-ene-3,3-diamine
PubChem CID121417447
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-N',3-N'-dimethylhex-5-ene-3,3-diamine
SMILESC=CCC(N)(CC)N(C)C
InChIInChI=1S/C8H18N2/c1-5-7-8(9,6-2)10(3)4/h5H,1,6-7,9H2,2-4H3
InChIKeyIGVODECYIKCVBB-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-N',3-N'-dimethylhex-5-ene-3,3-diamine?
The IUPAC name of 3-N',3-N'-dimethylhex-5-ene-3,3-diamine (CID 121417447) is 3-N',3-N'-dimethylhex-5-ene-3,3-diamine.
What is the SMILES notation for 3-N',3-N'-dimethylhex-5-ene-3,3-diamine?
The canonical SMILES for 3-N',3-N'-dimethylhex-5-ene-3,3-diamine is C=CCC(N)(CC)N(C)C.
What is the InChIKey of 3-N',3-N'-dimethylhex-5-ene-3,3-diamine?
The InChIKey is IGVODECYIKCVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-7-8(9,6-2)10(3)4/h5H,1,6-7,9H2,2-4H3.
What are the key properties of 3-N',3-N'-dimethylhex-5-ene-3,3-diamine?
3-N',3-N'-dimethylhex-5-ene-3,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',3-N'-dimethylhex-5-ene-3,3-diamine is sourced from PubChem (CID 121417447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).