azane;propyl 2,2-dipropylpentanoate

C14H31NO2 — CID 87112478

IUPACazane;propyl 2,2-dipropylpentanoate
SMILESCCCOC(=O)C(CCC)(CCC)CCC.N
InChIInChI=1S/C14H28O2.H3N/c1-5-9-14(10-6-2,11-7-3)13(15)16-12-8-4;/h5-12H2,1-4H3;1H3
InChIKeySTHOWTGATQPLOL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.49
Rot. Bonds9

About azane;propyl 2,2-dipropylpentanoate

azane;propyl 2,2-dipropylpentanoate (PubChem CID 87112478) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is azane;propyl 2,2-dipropylpentanoate.

Molecular Properties

Compound Nameazane;propyl 2,2-dipropylpentanoate
PubChem CID87112478
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Nameazane;propyl 2,2-dipropylpentanoate
SMILESCCCOC(=O)C(CCC)(CCC)CCC.N
InChIInChI=1S/C14H28O2.H3N/c1-5-9-14(10-6-2,11-7-3)13(15)16-12-8-4;/h5-12H2,1-4H3;1H3
InChIKeySTHOWTGATQPLOL-UHFFFAOYSA-N
XLogP4.49
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;hexyl 2,2-dihexyloctanoate
CID 90110385
1-O-ethyl 3-O-propyl 2,2-dipropylpropanedioate
CID 166951365
propyl 2,2-difluorobutanoate
CID 88537819
hexyl 2,2-dihexyloctanoate
CID 90110386
octyl 2,2-dioctyldecanoate
CID 90110447
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725
azane;propyl 3-methyl-2,2-dipropylhexanoate
CID 174805444
4,4-dihydroxy-5-oxo-5-propoxypentanoic acid
CID 54104484
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate
CID 134918854
azane;butyl 2,2-diethylbutanoate;N,N-dimethylmethanamine
CID 174553144
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098

Frequently Asked Questions

What is the IUPAC name of azane;propyl 2,2-dipropylpentanoate?
The IUPAC name of azane;propyl 2,2-dipropylpentanoate (CID 87112478) is azane;propyl 2,2-dipropylpentanoate.
What is the SMILES notation for azane;propyl 2,2-dipropylpentanoate?
The canonical SMILES for azane;propyl 2,2-dipropylpentanoate is CCCOC(=O)C(CCC)(CCC)CCC.N.
What is the InChIKey of azane;propyl 2,2-dipropylpentanoate?
The InChIKey is STHOWTGATQPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.H3N/c1-5-9-14(10-6-2,11-7-3)13(15)16-12-8-4;/h5-12H2,1-4H3;1H3.
What are the key properties of azane;propyl 2,2-dipropylpentanoate?
azane;propyl 2,2-dipropylpentanoate has a molecular weight of 245.41 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propyl 2,2-dipropylpentanoate is sourced from PubChem (CID 87112478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).