azane;propyl 3-methyl-2,2-dipropylhexanoate

C16H35NO2 — CID 174805444

IUPACazane;propyl 3-methyl-2,2-dipropylhexanoate
SMILESCCCOC(=O)C(CCC)(CCC)C(C)CCC.N
InChIInChI=1S/C16H32O2.H3N/c1-6-10-14(5)16(11-7-2,12-8-3)15(17)18-13-9-4;/h14H,6-13H2,1-5H3;1H3
InChIKeyMSVCEJQTUOHQHU-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.12
Rot. Bonds10

About azane;propyl 3-methyl-2,2-dipropylhexanoate

azane;propyl 3-methyl-2,2-dipropylhexanoate (PubChem CID 174805444) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is azane;propyl 3-methyl-2,2-dipropylhexanoate.

Molecular Properties

Compound Nameazane;propyl 3-methyl-2,2-dipropylhexanoate
PubChem CID174805444
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameazane;propyl 3-methyl-2,2-dipropylhexanoate
SMILESCCCOC(=O)C(CCC)(CCC)C(C)CCC.N
InChIInChI=1S/C16H32O2.H3N/c1-6-10-14(5)16(11-7-2,12-8-3)15(17)18-13-9-4;/h14H,6-13H2,1-5H3;1H3
InChIKeyMSVCEJQTUOHQHU-UHFFFAOYSA-N
XLogP5.12
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azane;propyl 3-methyl-2,2-dipropylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;propyl 2,2-dipropylpentanoate
CID 87112478
dipropyl 2-(3-methylbutyl)-2-propan-2-ylpropanedioate
CID 23073622
1-O-ethyl 3-O-propyl 2,2-dipropylpropanedioate
CID 166951365
butyl 2-butyl-2-propan-2-ylhexanoate
CID 175170157
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
propyl 2,2-difluorobutanoate
CID 88537819
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
16-methylheptadecyl 2,2,3-trimethylhexanoate
CID 19704601
methane;2-(1-oxo-1-propoxypropan-2-yl)pentanoic acid
CID 160908487
ethyl 3-ethoxycarbonyloxy-2-(2-methylpropyl)-2-propylhexanoate
CID 122517265
3-methylbutyl acetate;propyl 2,2-dimethylpropanoate
CID 174975748
propyl 3-amino-2-methylpropanoate
CID 54192704

Frequently Asked Questions

What is the IUPAC name of azane;propyl 3-methyl-2,2-dipropylhexanoate?
The IUPAC name of azane;propyl 3-methyl-2,2-dipropylhexanoate (CID 174805444) is azane;propyl 3-methyl-2,2-dipropylhexanoate.
What is the SMILES notation for azane;propyl 3-methyl-2,2-dipropylhexanoate?
The canonical SMILES for azane;propyl 3-methyl-2,2-dipropylhexanoate is CCCOC(=O)C(CCC)(CCC)C(C)CCC.N.
What is the InChIKey of azane;propyl 3-methyl-2,2-dipropylhexanoate?
The InChIKey is MSVCEJQTUOHQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.H3N/c1-6-10-14(5)16(11-7-2,12-8-3)15(17)18-13-9-4;/h14H,6-13H2,1-5H3;1H3.
What are the key properties of azane;propyl 3-methyl-2,2-dipropylhexanoate?
azane;propyl 3-methyl-2,2-dipropylhexanoate has a molecular weight of 273.46 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propyl 3-methyl-2,2-dipropylhexanoate is sourced from PubChem (CID 174805444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).