N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine

C12H26N2O2 — CID 103069913

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(CCCOC)CCOC
InChIInChI=1S/C12H26N2O2/c1-12(10-13-2)11-14(7-9-16-4)6-5-8-15-3/h13H,1,5-11H2,2-4H3
InChIKeyGALBWZVNDYCBSQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.75
Rot. Bonds11

About N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine

N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069913) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103069913
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(CCCOC)CCOC
InChIInChI=1S/C12H26N2O2/c1-12(10-13-2)11-14(7-9-16-4)6-5-8-15-3/h13H,1,5-11H2,2-4H3
InChIKeyGALBWZVNDYCBSQ-UHFFFAOYSA-N
XLogP0.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine
CID 129257616
N'-(3-methoxypropyl)-N,N'-dimethylpropane-1,3-diamine;2-methylprop-1-ene;molecular hydrogen
CID 145385314
2-[2-(dimethylamino)ethoxymethyl]-N-methylprop-2-en-1-amine
CID 164002361
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-en-1-amine
CID 60684443
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62842916
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 79291679
N-[2-(2-aminoethoxy)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 79479139
N-methyl-2-(morpholin-4-ylmethyl)prop-2-en-1-amine
CID 103068807
N-ethyl-2-(morpholin-4-ylmethyl)prop-2-en-1-amine
CID 103068809
2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103068812
2-[Ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069508

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103069913) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(CCCOC)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is GALBWZVNDYCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(10-13-2)11-14(7-9-16-4)6-5-8-15-3/h13H,1,5-11H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).