2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine

C13H28N2O2 — CID 62569230

IUPAC2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
SMILESCOCCCNCC(C)N(CCOC)C1CC1
InChIInChI=1S/C13H28N2O2/c1-12(11-14-7-4-9-16-2)15(8-10-17-3)13-5-6-13/h12-14H,4-11H2,1-3H3
InChIKeyFARPUOMNVOJRRN-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds11

About 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine

2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine (PubChem CID 62569230) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
PubChem CID62569230
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
SMILESCOCCCNCC(C)N(CCOC)C1CC1
InChIInChI=1S/C13H28N2O2/c1-12(11-14-7-4-9-16-2)15(8-10-17-3)13-5-6-13/h12-14H,4-11H2,1-3H3
InChIKeyFARPUOMNVOJRRN-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
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

2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62557645
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 64521692
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
4-[cyclopropyl(2-methoxyethyl)amino]pentan-2-ol
CID 64720380
4-N-cyclopropyl-4-N-(2-methoxyethyl)pentane-2,4-diamine
CID 64706170
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62437164
3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide
CID 61451186
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)cyclopentane-1,3-diamine
CID 79469576
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine (CID 62569230) is 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine is COCCCNCC(C)N(CCOC)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine?
The InChIKey is FARPUOMNVOJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(11-14-7-4-9-16-2)15(8-10-17-3)13-5-6-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine is sourced from PubChem (CID 62569230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).