4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal

C14H28N2O2 — CID 153346744

IUPAC4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal
SMILESC=CC=O.CC1(CN2CCOCC2)CC1.CNC
InChIInChI=1S/C9H17NO.C3H4O.C2H7N/c1-9(2-3-9)8-10-4-6-11-7-5-10;1-2-3-4;1-3-2/h2-8H2,1H3;2-3H,1H2;3H,1-2H3
InChIKeyOIGFZKWTLQCBCO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.33
Rot. Bonds3

About 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal

4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal (PubChem CID 153346744) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal.

Molecular Properties

Compound Name4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal
PubChem CID153346744
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal
SMILESC=CC=O.CC1(CN2CCOCC2)CC1.CNC
InChIInChI=1S/C9H17NO.C3H4O.C2H7N/c1-9(2-3-9)8-10-4-6-11-7-5-10;1-2-3-4;1-3-2/h2-8H2,1H3;2-3H,1H2;3H,1-2H3
InChIKeyOIGFZKWTLQCBCO-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal?
The IUPAC name of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal (CID 153346744) is 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal.
What is the SMILES notation for 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal?
The canonical SMILES for 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal is C=CC=O.CC1(CN2CCOCC2)CC1.CNC.
What is the InChIKey of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal?
The InChIKey is OIGFZKWTLQCBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C3H4O.C2H7N/c1-9(2-3-9)8-10-4-6-11-7-5-10;1-2-3-4;1-3-2/h2-8H2,1H3;2-3H,1H2;3H,1-2H3.
What are the key properties of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal?
4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal has a molecular weight of 256.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal is sourced from PubChem (CID 153346744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).