1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine

C12H26N2O2 — CID 103227020

IUPAC1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCOCCN(C)C(CNC1CC1)COC
InChIInChI=1S/C12H26N2O2/c1-4-16-8-7-14(2)12(10-15-3)9-13-11-5-6-11/h11-13H,4-10H2,1-3H3
InChIKeySKUXWRSBAIDTMP-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds10

About 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine

1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 103227020) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID103227020
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCOCCN(C)C(CNC1CC1)COC
InChIInChI=1S/C12H26N2O2/c1-4-16-8-7-14(2)12(10-15-3)9-13-11-5-6-11/h11-13H,4-10H2,1-3H3
InChIKeySKUXWRSBAIDTMP-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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

1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
CID 103225416
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 103227237
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227378
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668
N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
N-[2-(1-ethoxypropan-2-yloxy)-3-methoxypropyl]cyclopropanamine
CID 103490509

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine (CID 103227020) is 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine is CCOCCN(C)C(CNC1CC1)COC.
What is the InChIKey of 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is SKUXWRSBAIDTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-16-8-7-14(2)12(10-15-3)9-13-11-5-6-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103227020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).