N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine

C12H28N2O2 — CID 103409174

IUPACN'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCOCCCN(CCCN)C(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2)14(7-4-6-13)8-5-9-16-11-10-15-3/h12H,4-11,13H2,1-3H3
InChIKeyUMHREKHKSCCKFR-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.10
Rot. Bonds11

About N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine

N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103409174) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103409174
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCOCCCN(CCCN)C(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2)14(7-4-6-13)8-5-9-16-11-10-15-3/h12H,4-11,13H2,1-3H3
InChIKeyUMHREKHKSCCKFR-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103411120
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine (CID 103409174) is N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine is COCCOCCCN(CCCN)C(C)C.
What is the InChIKey of N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is UMHREKHKSCCKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2)14(7-4-6-13)8-5-9-16-11-10-15-3/h12H,4-11,13H2,1-3H3.
What are the key properties of N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103409174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).