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

C9H18N2O — CID 79172378

IUPACN-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1
InChIInChI=1S/C9H18N2O/c1-11-4-5-12-9(7-11)6-10-8-2-3-8/h8-10H,2-7H2,1H3
InChIKeyQMSFMBUYHZQMHA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds3

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

N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine (PubChem CID 79172378) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine
PubChem CID79172378
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1
InChIInChI=1S/C9H18N2O/c1-11-4-5-12-9(7-11)6-10-8-2-3-8/h8-10H,2-7H2,1H3
InChIKeyQMSFMBUYHZQMHA-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine (CID 79172378) is N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine is CN1CCOC(CNC2CC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
The InChIKey is QMSFMBUYHZQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-4-5-12-9(7-11)6-10-8-2-3-8/h8-10H,2-7H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79172378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).