3,7-bis(ethylamino)heptan-2-one

C11H24N2O — CID 143994128

IUPAC3,7-bis(ethylamino)heptan-2-one
SMILESCCNCCCCC(NCC)C(C)=O
InChIInChI=1S/C11H24N2O/c1-4-12-9-7-6-8-11(10(3)14)13-5-2/h11-13H,4-9H2,1-3H3
InChIKeyQQWURHQXQQFJHB-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.33
Rot. Bonds9

About 3,7-bis(ethylamino)heptan-2-one

3,7-bis(ethylamino)heptan-2-one (PubChem CID 143994128) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3,7-bis(ethylamino)heptan-2-one.

Molecular Properties

Compound Name3,7-bis(ethylamino)heptan-2-one
PubChem CID143994128
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3,7-bis(ethylamino)heptan-2-one
SMILESCCNCCCCC(NCC)C(C)=O
InChIInChI=1S/C11H24N2O/c1-4-12-9-7-6-8-11(10(3)14)13-5-2/h11-13H,4-9H2,1-3H3
InChIKeyQQWURHQXQQFJHB-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
CID 90364828
CID 162681421
CID 162681421
ethane;3-(ethylamino)hexan-2-one
CID 142933892
4-(ethylamino)-5-oxohexanal
CID 155034018
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
3-[[2-oxo-3-(propan-2-ylamino)propyl]amino]-7-(propan-2-ylamino)heptan-2-one
CID 157112180
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
7-(2,2-dimethylpropylamino)-3-(methylamino)heptan-2-one
CID 131998735
(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(ethylamino)heptan-2-one?
The IUPAC name of 3,7-bis(ethylamino)heptan-2-one (CID 143994128) is 3,7-bis(ethylamino)heptan-2-one.
What is the SMILES notation for 3,7-bis(ethylamino)heptan-2-one?
The canonical SMILES for 3,7-bis(ethylamino)heptan-2-one is CCNCCCCC(NCC)C(C)=O.
What is the InChIKey of 3,7-bis(ethylamino)heptan-2-one?
The InChIKey is QQWURHQXQQFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-12-9-7-6-8-11(10(3)14)13-5-2/h11-13H,4-9H2,1-3H3.
What are the key properties of 3,7-bis(ethylamino)heptan-2-one?
3,7-bis(ethylamino)heptan-2-one has a molecular weight of 200.33 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(ethylamino)heptan-2-one is sourced from PubChem (CID 143994128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).