N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine

C12H28N2O2 — CID 22075494

IUPACN,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine
SMILESCOCCCNCC(C)CNCCCOC
InChIInChI=1S/C12H28N2O2/c1-12(10-13-6-4-8-15-2)11-14-7-5-9-16-3/h12-14H,4-11H2,1-3H3
InChIKeyJPDYPALUSJTJAE-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.87
Rot. Bonds12

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

N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine (PubChem CID 22075494) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine
PubChem CID22075494
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine
SMILESCOCCCNCC(C)CNCCCOC
InChIInChI=1S/C12H28N2O2/c1-12(10-13-6-4-8-15-2)11-14-7-5-9-16-3/h12-14H,4-11H2,1-3H3
InChIKeyJPDYPALUSJTJAE-UHFFFAOYSA-N
XLogP0.87
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(3-fluoropropyl)-3-methoxy-2-methylpropan-1-amine
CID 81105901
N-[3-(2,2-difluoroethoxy)propyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 103208170
N-(3-fluoropropyl)-3-(2-methylpropoxy)propan-1-amine
CID 105677267
N-(2-fluoroethyl)-3-(2-methylpropoxy)propan-1-amine
CID 105677289
N'-(2-methylpropyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 113788245
n-(3-Methoxypropyl)-2,2-dimethylpropan-1-amine
CID 244287
N,N'-bis(1-methoxyethyl)propane-1,3-diamine
CID 18933421
3-propoxy-N-(3-propoxypropyl)propan-1-amine
CID 19002497
3-ethoxy-N-(3-ethoxypropyl)propan-1-amine
CID 19002500

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine (CID 22075494) is N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine is COCCCNCC(C)CNCCCOC.
What is the InChIKey of N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine?
The InChIKey is JPDYPALUSJTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(10-13-6-4-8-15-2)11-14-7-5-9-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine?
N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methoxypropyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 22075494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).