2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine

C13H27N3O — CID 114133400

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine
SMILESCC(CNCCN1CCOCC1)N(C)C1CC1
InChIInChI=1S/C13H27N3O/c1-12(15(2)13-3-4-13)11-14-5-6-16-7-9-17-10-8-16/h12-14H,3-11H2,1-2H3
InChIKeyRBFQMDSJFZUJRE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds7

About 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine

2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine (PubChem CID 114133400) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine
PubChem CID114133400
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine
SMILESCC(CNCCN1CCOCC1)N(C)C1CC1
InChIInChI=1S/C13H27N3O/c1-12(15(2)13-3-4-13)11-14-5-6-16-7-9-17-10-8-16/h12-14H,3-11H2,1-2H3
InChIKeyRBFQMDSJFZUJRE-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
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'-cyclopropyl-N'-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 62977611
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
N'-cyclopropyl-N'-ethyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 114132993
2-methyl-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 63964280
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972703
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
CID 114987350
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine (CID 114133400) is 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine is CC(CNCCN1CCOCC1)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine?
The InChIKey is RBFQMDSJFZUJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(15(2)13-3-4-13)11-14-5-6-16-7-9-17-10-8-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 7 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-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 114133400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).