N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine

C14H28N2O2 — CID 83099766

IUPACN-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine
SMILESCCCCOCCN1CCOCC1CNC1CC1
InChIInChI=1S/C14H28N2O2/c1-2-3-8-17-9-6-16-7-10-18-12-14(16)11-15-13-4-5-13/h13-15H,2-12H2,1H3
InChIKeyQLTXCHFMPAUVBA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.26
Rot. Bonds9

About N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine

N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83099766) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83099766
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine
SMILESCCCCOCCN1CCOCC1CNC1CC1
InChIInChI=1S/C14H28N2O2/c1-2-3-8-17-9-6-16-7-10-18-12-14(16)11-15-13-4-5-13/h13-15H,2-12H2,1H3
InChIKeyQLTXCHFMPAUVBA-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine (CID 83099766) is N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine is CCCCOCCN1CCOCC1CNC1CC1.
What is the InChIKey of N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is QLTXCHFMPAUVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-8-17-9-6-16-7-10-18-12-14(16)11-15-13-4-5-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine has a molecular weight of 256.39 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83099766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).