1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine

C9H22N2O — CID 115346211

IUPAC1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
SMILESCC(C)OCC(N)CCN(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)12-7-9(10)5-6-11(3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyRGBNOIGECWQWLG-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.69
Rot. Bonds6

About 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine

1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine (PubChem CID 115346211) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
PubChem CID115346211
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
SMILESCC(C)OCC(N)CCN(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)12-7-9(10)5-6-11(3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyRGBNOIGECWQWLG-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine 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

6-methyl-1-propan-2-yloxyheptan-2-amine
CID 105177020
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
CID 105140004
(2S)-1-methoxy-3-propan-2-yloxypropan-2-amine
CID 164877074
(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
CID 28802452
4-cyclobutyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346236
3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine
CID 88737758
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
N,N-dimethyl-1,3-di(propan-2-yloxy)propan-2-amine
CID 176738241
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine (CID 115346211) is 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine is CC(C)OCC(N)CCN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine?
The InChIKey is RGBNOIGECWQWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(2)12-7-9(10)5-6-11(3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine?
1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine is sourced from PubChem (CID 115346211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).