1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one

C14H30N2O2 — CID 114229019

IUPAC1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one
SMILESCCN(CCC(=O)C(C)(C)OC)C(C)CN(C)C
InChIInChI=1S/C14H30N2O2/c1-8-16(12(2)11-15(5)6)10-9-13(17)14(3,4)18-7/h12H,8-11H2,1-7H3
InChIKeyLBPIPODDOIHHNP-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.64
Rot. Bonds9

About 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one

1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one (PubChem CID 114229019) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one
PubChem CID114229019
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one
SMILESCCN(CCC(=O)C(C)(C)OC)C(C)CN(C)C
InChIInChI=1S/C14H30N2O2/c1-8-16(12(2)11-15(5)6)10-9-13(17)14(3,4)18-7/h12H,8-11H2,1-7H3
InChIKeyLBPIPODDOIHHNP-UHFFFAOYSA-N
XLogP1.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one (CID 114229019) is 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one is CCN(CCC(=O)C(C)(C)OC)C(C)CN(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one?
The InChIKey is LBPIPODDOIHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-8-16(12(2)11-15(5)6)10-9-13(17)14(3,4)18-7/h12H,8-11H2,1-7H3.
What are the key properties of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one?
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one has a molecular weight of 258.41 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114229019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).