3-(2-aminopropoxy)-3-methylbutan-1-amine

C8H20N2O — CID 139317825

IUPAC3-(2-aminopropoxy)-3-methylbutan-1-amine
SMILESCC(N)COC(C)(C)CCN
InChIInChI=1S/C8H20N2O/c1-7(10)6-11-8(2,3)4-5-9/h7H,4-6,9-10H2,1-3H3
InChIKeyDUZMGCYSKRKGAZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.48
Rot. Bonds5

About 3-(2-aminopropoxy)-3-methylbutan-1-amine

3-(2-aminopropoxy)-3-methylbutan-1-amine (PubChem CID 139317825) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(2-aminopropoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-aminopropoxy)-3-methylbutan-1-amine
PubChem CID139317825
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3-(2-aminopropoxy)-3-methylbutan-1-amine
SMILESCC(N)COC(C)(C)CCN
InChIInChI=1S/C8H20N2O/c1-7(10)6-11-8(2,3)4-5-9/h7H,4-6,9-10H2,1-3H3
InChIKeyDUZMGCYSKRKGAZ-UHFFFAOYSA-N
XLogP0.48
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminopropoxy)-3-methylbutan-1-amine 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

3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
CID 126734021
O-(4-amino-2-methylbutan-2-yl)hydroxylamine
CID 153346909
4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal
CID 126510686
(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine
CID 166829521
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
CID 97302135
2-(2-ethylbutoxy)-2-methylpropan-1-amine
CID 82927297
3-methoxy-3-methylpentane-1,4-diamine
CID 87439375
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropoxy)-3-methylbutan-1-amine?
The IUPAC name of 3-(2-aminopropoxy)-3-methylbutan-1-amine (CID 139317825) is 3-(2-aminopropoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2-aminopropoxy)-3-methylbutan-1-amine?
The canonical SMILES for 3-(2-aminopropoxy)-3-methylbutan-1-amine is CC(N)COC(C)(C)CCN.
What is the InChIKey of 3-(2-aminopropoxy)-3-methylbutan-1-amine?
The InChIKey is DUZMGCYSKRKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(10)6-11-8(2,3)4-5-9/h7H,4-6,9-10H2,1-3H3.
What are the key properties of 3-(2-aminopropoxy)-3-methylbutan-1-amine?
3-(2-aminopropoxy)-3-methylbutan-1-amine has a molecular weight of 160.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 139317825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).