azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine

C15H36N2O2 — CID 174553144

IUPACazane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine
SMILESCCCCOC(=O)C(CC)(CC)CC.CN(C)C.N
InChIInChI=1S/C12H24O2.C3H9N.H3N/c1-5-9-10-14-11(13)12(6-2,7-3)8-4;1-4(2)3;/h5-10H2,1-4H3;1-3H3;1H3
InChIKeyNZYBLQDQVDKFCC-UHFFFAOYSA-N
MW276.46 g/mol
LogP3.89
Rot. Bonds7

About azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine

azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine (PubChem CID 174553144) has the molecular formula C15H36N2O2 and a molecular weight of 276.46 g/mol. Its IUPAC name is azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine.

Molecular Properties

Compound Nameazane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine
PubChem CID174553144
Molecular FormulaC15H36N2O2
Molecular Weight276.46 g/mol
Exact Mass276.28
IUPAC Nameazane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine
SMILESCCCCOC(=O)C(CC)(CC)CC.CN(C)C.N
InChIInChI=1S/C12H24O2.C3H9N.H3N/c1-5-9-10-14-11(13)12(6-2,7-3)8-4;1-4(2)3;/h5-10H2,1-4H3;1-3H3;1H3
InChIKeyNZYBLQDQVDKFCC-UHFFFAOYSA-N
XLogP3.89
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl 2,2-bis(hydroxymethyl)butanoate
CID 90164651
3-hydroxypropyl 2,2-diethylbutanoate
CID 174412834
azane;hexyl 2,2-dihexyloctanoate
CID 90110385
butyl 2-butyl-2-(sulfanylmethyl)hexanoate
CID 175260978
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051
hexyl 2,2-dihexyloctanoate
CID 90110386
octyl 2,2-dioctyldecanoate
CID 90110447
1-O-butyl 3-O-ethyl 2,2-diethylpropanedioate
CID 119025395
hexadecyl 3-hydroxy-2,2-bis(hydroxymethyl)propanoate
CID 139170510
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725
(2-decoxycarbonyl-2-ethylbutyl)phosphonic acid
CID 87375478
butyl 2-iodo-2-methylpropanoate
CID 87865989

Frequently Asked Questions

What is the IUPAC name of azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine?
The IUPAC name of azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine (CID 174553144) is azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine.
What is the SMILES notation for azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine?
The canonical SMILES for azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine is CCCCOC(=O)C(CC)(CC)CC.CN(C)C.N.
What is the InChIKey of azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine?
The InChIKey is NZYBLQDQVDKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C3H9N.H3N/c1-5-9-10-14-11(13)12(6-2,7-3)8-4;1-4(2)3;/h5-10H2,1-4H3;1-3H3;1H3.
What are the key properties of azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine?
azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine has a molecular weight of 276.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine is sourced from PubChem (CID 174553144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).