N-propan-2-ylpropan-2-amine;propyl prop-2-enoate

C12H25NO2 — CID 175325942

IUPACN-propan-2-ylpropan-2-amine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CC(C)NC(C)C
InChIInChI=1S/C6H15N.C6H10O2/c1-5(2)7-6(3)4;1-3-5-8-6(7)4-2/h5-7H,1-4H3;4H,2-3,5H2,1H3
InChIKeyJEIWXILQXCLQQD-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.52
Rot. Bonds5

About N-propan-2-ylpropan-2-amine;propyl prop-2-enoate

N-propan-2-ylpropan-2-amine;propyl prop-2-enoate (PubChem CID 175325942) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-propan-2-ylpropan-2-amine;propyl prop-2-enoate.

Molecular Properties

Compound NameN-propan-2-ylpropan-2-amine;propyl prop-2-enoate
PubChem CID175325942
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-propan-2-ylpropan-2-amine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CC(C)NC(C)C
InChIInChI=1S/C6H15N.C6H10O2/c1-5(2)7-6(3)4;1-3-5-8-6(7)4-2/h5-7H,1-4H3;4H,2-3,5H2,1H3
InChIKeyJEIWXILQXCLQQD-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-propan-2-ylpropan-2-amine;propyl prop-2-enoate 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

N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
carbamic acid;propyl prop-2-enoate
CID 87571569
ethenoxyethene;propyl prop-2-enoate
CID 174744389
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpropan-2-amine;propyl prop-2-enoate?
The IUPAC name of N-propan-2-ylpropan-2-amine;propyl prop-2-enoate (CID 175325942) is N-propan-2-ylpropan-2-amine;propyl prop-2-enoate.
What is the SMILES notation for N-propan-2-ylpropan-2-amine;propyl prop-2-enoate?
The canonical SMILES for N-propan-2-ylpropan-2-amine;propyl prop-2-enoate is C=CC(=O)OCCC.CC(C)NC(C)C.
What is the InChIKey of N-propan-2-ylpropan-2-amine;propyl prop-2-enoate?
The InChIKey is JEIWXILQXCLQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H10O2/c1-5(2)7-6(3)4;1-3-5-8-6(7)4-2/h5-7H,1-4H3;4H,2-3,5H2,1H3.
What are the key properties of N-propan-2-ylpropan-2-amine;propyl prop-2-enoate?
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate has a molecular weight of 215.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropan-2-amine;propyl prop-2-enoate is sourced from PubChem (CID 175325942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).