(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate

C14H28N2O2 — CID 174759101

IUPAC(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
SMILESCCCN(CCC)OC(=O)C(C)=CCCN(C)C
InChIInChI=1S/C14H28N2O2/c1-6-10-16(11-7-2)18-14(17)13(3)9-8-12-15(4)5/h9H,6-8,10-12H2,1-5H3
InChIKeySIXRLYDAGCTGDX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.46
Rot. Bonds9

About (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate

(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate (PubChem CID 174759101) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Name(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
PubChem CID174759101
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
SMILESCCCN(CCC)OC(=O)C(C)=CCCN(C)C
InChIInChI=1S/C14H28N2O2/c1-6-10-16(11-7-2)18-14(17)13(3)9-8-12-15(4)5/h9H,6-8,10-12H2,1-5H3
InChIKeySIXRLYDAGCTGDX-UHFFFAOYSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate?
The IUPAC name of (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate (CID 174759101) is (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate?
The canonical SMILES for (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate is CCCN(CCC)OC(=O)C(C)=CCCN(C)C.
What is the InChIKey of (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate?
The InChIKey is SIXRLYDAGCTGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-10-16(11-7-2)18-14(17)13(3)9-8-12-15(4)5/h9H,6-8,10-12H2,1-5H3.
What are the key properties of (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate?
(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate has a molecular weight of 256.39 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 174759101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).