2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine

C12H25NO — CID 3805455

IUPAC2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine
SMILESCC(C)C1(CCN)CCOC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-10(2)12(5-7-13)6-8-14-11(3,4)9-12/h10H,5-9,13H2,1-4H3
InChIKeyMOPYYUIMYCVIDR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds3

About 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine

2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine (PubChem CID 3805455) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine
PubChem CID3805455
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine
SMILESCC(C)C1(CCN)CCOC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-10(2)12(5-7-13)6-8-14-11(3,4)9-12/h10H,5-9,13H2,1-4H3
InChIKeyMOPYYUIMYCVIDR-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine 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

CID 13202183
CID 13202183
CID 62707969
CID 62707969
CID 57429862
CID 57429862
CID 59234193
CID 59234193
CID 65006071
CID 65006071
CID 5216448
CID 5216448
CID 55290013
CID 55290013
CID 64137442
CID 64137442
CID 83815189
CID 83815189
CID 167718151
CID 167718151
CID 3741343
CID 3741343
CID 4371711
CID 4371711

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine?
The IUPAC name of 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine (CID 3805455) is 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine is CC(C)C1(CCN)CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine?
The InChIKey is MOPYYUIMYCVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)12(5-7-13)6-8-14-11(3,4)9-12/h10H,5-9,13H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine?
2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethanamine is sourced from PubChem (CID 3805455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).