N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine

C12H22N2O — CID 103069369

IUPACN-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCOCC1C
InChIInChI=1S/C12H22N2O/c1-10(7-13-12-3-4-12)8-14-5-6-15-9-11(14)2/h11-13H,1,3-9H2,2H3
InChIKeyXBMOSKVSCJPBCR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds5

About N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103069369) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103069369
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCOCC1C
InChIInChI=1S/C12H22N2O/c1-10(7-13-12-3-4-12)8-14-5-6-15-9-11(14)2/h11-13H,1,3-9H2,2H3
InChIKeyXBMOSKVSCJPBCR-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine
CID 155189256
N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine
CID 169215022
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-en-1-amine
CID 60684443
N-[3-(3-methylmorpholin-4-yl)propyl]cyclopropanamine
CID 60866249
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine
CID 60867498
N-[3-(3,3-dimethylmorpholin-4-yl)propyl]cyclopropanamine
CID 61430832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine (CID 103069369) is N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCOCC1C.
What is the InChIKey of N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is XBMOSKVSCJPBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(7-13-12-3-4-12)8-14-5-6-15-9-11(14)2/h11-13H,1,3-9H2,2H3.
What are the key properties of N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103069369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).