N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine

C11H22N2O — CID 83100570

IUPACN-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1CC1CC1
InChIInChI=1S/C11H22N2O/c1-2-12-7-11-9-14-6-5-13(11)8-10-3-4-10/h10-12H,2-9H2,1H3
InChIKeyGMDFDPPSGPONEI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds5

About N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine

N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine (PubChem CID 83100570) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine
PubChem CID83100570
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1CC1CC1
InChIInChI=1S/C11H22N2O/c1-2-12-7-11-9-14-6-5-13(11)8-10-3-4-10/h10-12H,2-9H2,1H3
InChIKeyGMDFDPPSGPONEI-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine (CID 83100570) is N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1CC1CC1.
What is the InChIKey of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine?
The InChIKey is GMDFDPPSGPONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-12-7-11-9-14-6-5-13(11)8-10-3-4-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine?
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83100570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).