3-aminoheptane-2,6-dione;propane

C10H21NO2 — CID 155584486

IUPAC3-aminoheptane-2,6-dione;propane
SMILESCC(=O)CCC(N)C(C)=O.CCC
InChIInChI=1S/C7H13NO2.C3H8/c1-5(9)3-4-7(8)6(2)10;1-3-2/h7H,3-4,8H2,1-2H3;3H2,1-2H3
InChIKeyISXCTSYMOALTTE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.69
Rot. Bonds4

About 3-aminoheptane-2,6-dione;propane

3-aminoheptane-2,6-dione;propane (PubChem CID 155584486) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-aminoheptane-2,6-dione;propane.

Molecular Properties

Compound Name3-aminoheptane-2,6-dione;propane
PubChem CID155584486
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-aminoheptane-2,6-dione;propane
SMILESCC(=O)CCC(N)C(C)=O.CCC
InChIInChI=1S/C7H13NO2.C3H8/c1-5(9)3-4-7(8)6(2)10;1-3-2/h7H,3-4,8H2,1-2H3;3H2,1-2H3
InChIKeyISXCTSYMOALTTE-UHFFFAOYSA-N
XLogP1.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-aminoheptane-2,6-dione
CID 154592232
3-(dideuterioamino)(613C)heptane-2,6-dione
CID 161440534
(2S)-2-amino-5-oxohexanoyl bromide
CID 142977987
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
amino 4-amino-5-oxohexanoate
CID 87413012
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane
CID 163711224
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
3-aminooctan-2-one;hydrochloride
CID 13478908
(3S)-3-aminoundecane-2,9-dione
CID 148839673
4-aminooctane-2,7-dione
CID 89306348

Frequently Asked Questions

What is the IUPAC name of 3-aminoheptane-2,6-dione;propane?
The IUPAC name of 3-aminoheptane-2,6-dione;propane (CID 155584486) is 3-aminoheptane-2,6-dione;propane.
What is the SMILES notation for 3-aminoheptane-2,6-dione;propane?
The canonical SMILES for 3-aminoheptane-2,6-dione;propane is CC(=O)CCC(N)C(C)=O.CCC.
What is the InChIKey of 3-aminoheptane-2,6-dione;propane?
The InChIKey is ISXCTSYMOALTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H8/c1-5(9)3-4-7(8)6(2)10;1-3-2/h7H,3-4,8H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-aminoheptane-2,6-dione;propane?
3-aminoheptane-2,6-dione;propane has a molecular weight of 187.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoheptane-2,6-dione;propane is sourced from PubChem (CID 155584486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).