N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine

C12H25N3O — CID 79172100

IUPACN'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCN1CCOC(CNCCN(C)C2CC2)C1
InChIInChI=1S/C12H25N3O/c1-14-7-8-16-12(10-14)9-13-5-6-15(2)11-3-4-11/h11-13H,3-10H2,1-2H3
InChIKeyOJURNEQEAXWGMA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds6

About N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79172100) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
PubChem CID79172100
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCN1CCOC(CNCCN(C)C2CC2)C1
InChIInChI=1S/C12H25N3O/c1-14-7-8-16-12(10-14)9-13-5-6-15(2)11-3-4-11/h11-13H,3-10H2,1-2H3
InChIKeyOJURNEQEAXWGMA-UHFFFAOYSA-N
XLogP0.00
TPSA27.74 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 ≤ 50.00
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'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 64534517
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine (CID 79172100) is N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine is CN1CCOC(CNCCN(C)C2CC2)C1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is OJURNEQEAXWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-7-8-16-12(10-14)9-13-5-6-15(2)11-3-4-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79172100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).