N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde

C16H38N2O — CID 178037223

IUPACN,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde
SMILESCC.CCCCN(CCC)CCC.CCNCC=O
InChIInChI=1S/C10H23N.C4H9NO.C2H6/c1-4-7-10-11(8-5-2)9-6-3;1-2-5-3-4-6;1-2/h4-10H2,1-3H3;4-5H,2-3H2,1H3;1-2H3
InChIKeyMKWKGYOPCDICSR-UHFFFAOYSA-N
MW274.49 g/mol
LogP3.73
Rot. Bonds10

About N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde

N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde (PubChem CID 178037223) has the molecular formula C16H38N2O and a molecular weight of 274.49 g/mol. Its IUPAC name is N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde.

Molecular Properties

Compound NameN,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde
PubChem CID178037223
Molecular FormulaC16H38N2O
Molecular Weight274.49 g/mol
Exact Mass274.30
IUPAC NameN,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde
SMILESCC.CCCCN(CCC)CCC.CCNCC=O
InChIInChI=1S/C10H23N.C4H9NO.C2H6/c1-4-7-10-11(8-5-2)9-6-3;1-2-5-3-4-6;1-2/h4-10H2,1-3H3;4-5H,2-3H2,1H3;1-2H3
InChIKeyMKWKGYOPCDICSR-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
butanal;N,N-dibutylbutan-1-amine
CID 174791584
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;isocyanic acid
CID 172697831
N-(2-bromoethyl)-N-propylbutan-1-amine
CID 80672792
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N-(2-iodoethyl)-N-propylbutan-1-amine
CID 143831432
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde?
The IUPAC name of N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde (CID 178037223) is N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde.
What is the SMILES notation for N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde?
The canonical SMILES for N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde is CC.CCCCN(CCC)CCC.CCNCC=O.
What is the InChIKey of N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde?
The InChIKey is MKWKGYOPCDICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H9NO.C2H6/c1-4-7-10-11(8-5-2)9-6-3;1-2-5-3-4-6;1-2/h4-10H2,1-3H3;4-5H,2-3H2,1H3;1-2H3.
What are the key properties of N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde?
N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde has a molecular weight of 274.49 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde is sourced from PubChem (CID 178037223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).