3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine

C14H28N2O — CID 123313466

IUPAC3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine
SMILESC=CC(C)(C(C)C)C(N)(NC)C(C)OC(=C)C
InChIInChI=1S/C14H28N2O/c1-9-13(7,10(2)3)14(15,16-8)12(6)17-11(4)5/h9-10,12,16H,1,4,15H2,2-3,5-8H3
InChIKeyPESRPOYHFPGNMG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.65
Rot. Bonds7

About 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine

3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine (PubChem CID 123313466) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine.

Molecular Properties

Compound Name3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine
PubChem CID123313466
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine
SMILESC=CC(C)(C(C)C)C(N)(NC)C(C)OC(=C)C
InChIInChI=1S/C14H28N2O/c1-9-13(7,10(2)3)14(15,16-8)12(6)17-11(4)5/h9-10,12,16H,1,4,15H2,2-3,5-8H3
InChIKeyPESRPOYHFPGNMG-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine?
The IUPAC name of 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine (CID 123313466) is 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine.
What is the SMILES notation for 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine?
The canonical SMILES for 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine is C=CC(C)(C(C)C)C(N)(NC)C(C)OC(=C)C.
What is the InChIKey of 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine?
The InChIKey is PESRPOYHFPGNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9-13(7,10(2)3)14(15,16-8)12(6)17-11(4)5/h9-10,12,16H,1,4,15H2,2-3,5-8H3.
What are the key properties of 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine?
3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',4-dimethyl-4-propan-2-yl-2-prop-1-en-2-yloxyhex-5-ene-3,3-diamine is sourced from PubChem (CID 123313466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).