N,N'-bis(1-methoxyethyl)propane-1,3-diamine

C9H22N2O2 — CID 18933421

IUPACN,N'-bis(1-methoxyethyl)propane-1,3-diamine
SMILESCOC(C)NCCCNC(C)OC
InChIInChI=1S/C9H22N2O2/c1-8(12-3)10-6-5-7-11-9(2)13-4/h8-11H,5-7H2,1-4H3
InChIKeyFOCPXPLFYUUSIE-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.54
Rot. Bonds8

About N,N'-bis(1-methoxyethyl)propane-1,3-diamine

N,N'-bis(1-methoxyethyl)propane-1,3-diamine (PubChem CID 18933421) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,N'-bis(1-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(1-methoxyethyl)propane-1,3-diamine
PubChem CID18933421
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC NameN,N'-bis(1-methoxyethyl)propane-1,3-diamine
SMILESCOC(C)NCCCNC(C)OC
InChIInChI=1S/C9H22N2O2/c1-8(12-3)10-6-5-7-11-9(2)13-4/h8-11H,5-7H2,1-4H3
InChIKeyFOCPXPLFYUUSIE-UHFFFAOYSA-N
XLogP0.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-N-(3-methoxypropyl)-1-propanamine
CID 18320509
N-(3-Methoxypropyl)-1,3-propylenediamine
CID 106642
N'-(3-ethoxypropyl)propane-1,3-diamine
CID 59483297
N-ethyl-1-[1-(ethylamino)propoxy]propan-1-amine
CID 18380122
1-propoxy-N-(1-propoxyethyl)ethanamine
CID 18629768
3-propoxy-N-(3-propoxypropyl)propan-1-amine
CID 19002497
3-ethoxy-N-(3-ethoxypropyl)propan-1-amine
CID 19002500
1-butoxy-N-(1-butoxypropyl)propan-1-amine
CID 19992490
N,N'-bis(4-methoxybutyl)propane-1,3-diamine
CID 20666077
N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine
CID 22069275
N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine
CID 22075494
N,N'-bis(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 22075508

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(1-methoxyethyl)propane-1,3-diamine (CID 18933421) is N,N'-bis(1-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(1-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(1-methoxyethyl)propane-1,3-diamine is COC(C)NCCCNC(C)OC.
What is the InChIKey of N,N'-bis(1-methoxyethyl)propane-1,3-diamine?
The InChIKey is FOCPXPLFYUUSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(12-3)10-6-5-7-11-9(2)13-4/h8-11H,5-7H2,1-4H3.
What are the key properties of N,N'-bis(1-methoxyethyl)propane-1,3-diamine?
N,N'-bis(1-methoxyethyl)propane-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 18933421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).