N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine

C9H22N2O — CID 23313972

IUPACN-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOC(C)CNCCCN(C)C
InChIInChI=1S/C9H22N2O/c1-9(12-4)8-10-6-5-7-11(2)3/h9-10H,5-8H2,1-4H3
InChIKeyFUVNWDGHVPHKKK-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.56
Rot. Bonds7

About N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine

N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 23313972) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID23313972
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOC(C)CNCCCN(C)C
InChIInChI=1S/C9H22N2O/c1-9(12-4)8-10-6-5-7-11(2)3/h9-10H,5-8H2,1-4H3
InChIKeyFUVNWDGHVPHKKK-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxypropyl)-N',N'-dimethylpropane-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

Dimethyl-morpholin-2-ylmethyl-amine
CID 3401489
3-(2-Methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
3-(2,6-Dimethylmorpholin-4-yl)propan-1-amine
CID 10607302
(3-Aminopropyl)(2-methoxyethyl)amine
CID 10975518
Methyl[(4-methylmorpholin-2-yl)methyl]amine
CID 18336931
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-1,3 propanediamine
CID 18945537
Bis(2-isopropoxyethyl)amine
CID 22450263
(4-Ethylmorpholin-2-yl)methanamine
CID 24262152
(3-Aminopropyl)(2-methoxyethyl)methylamine
CID 28387859
(2-Methoxypropyl)(propan-2-yl)amine
CID 54594872
[2-(Azetidin-3-yloxy)ethyl]diethylamine
CID 63105151
N'-(2-Methoxyethyl)-N,N-dimethylpropane-1,3-diamine
CID 3019741

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine (CID 23313972) is N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine is COC(C)CNCCCN(C)C.
What is the InChIKey of N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FUVNWDGHVPHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(12-4)8-10-6-5-7-11(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 23313972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).