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

C12H25N3O — CID 116652523

IUPAC1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCOCC1)C(CN)C1CC1
InChIInChI=1S/C12H25N3O/c1-14(12(10-13)11-2-3-11)4-5-15-6-8-16-9-7-15/h11-12H,2-10,13H2,1H3
InChIKeyMCHKXIOZYOOHRJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.01
Rot. Bonds6

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

1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine (PubChem CID 116652523) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
PubChem CID116652523
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCOCC1)C(CN)C1CC1
InChIInChI=1S/C12H25N3O/c1-14(12(10-13)11-2-3-11)4-5-15-6-8-16-9-7-15/h11-12H,2-10,13H2,1H3
InChIKeyMCHKXIOZYOOHRJ-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine (CID 116652523) is 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine is CN(CCN1CCOCC1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is MCHKXIOZYOOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14(12(10-13)11-2-3-11)4-5-15-6-8-16-9-7-15/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 227.35 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 116652523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).