N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine

C12H24N2O — CID 60867498

IUPACN-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine
SMILESCC1(C)CN(CCCNC2CC2)CCO1
InChIInChI=1S/C12H24N2O/c1-12(2)10-14(8-9-15-12)7-3-6-13-11-4-5-11/h11,13H,3-10H2,1-2H3
InChIKeyRSFPQSGYPCBCGW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine

N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine (PubChem CID 60867498) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine
PubChem CID60867498
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine
SMILESCC1(C)CN(CCCNC2CC2)CCO1
InChIInChI=1S/C12H24N2O/c1-12(2)10-14(8-9-15-12)7-3-6-13-11-4-5-11/h11,13H,3-10H2,1-2H3
InChIKeyRSFPQSGYPCBCGW-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine (CID 60867498) is N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine is CC1(C)CN(CCCNC2CC2)CCO1.
What is the InChIKey of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine?
The InChIKey is RSFPQSGYPCBCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)10-14(8-9-15-12)7-3-6-13-11-4-5-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine?
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylmorpholin-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 60867498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).