N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine

C14H29N3O2 — CID 176931694

IUPACN-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine
SMILESC=CCCNCC1CN(CCOCCNC)CCO1
InChIInChI=1S/C14H29N3O2/c1-3-4-5-16-12-14-13-17(8-11-19-14)7-10-18-9-6-15-2/h3,14-16H,1,4-13H2,2H3
InChIKeyCXXMNZSBHLVDPO-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.09
Rot. Bonds11

About N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine

N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine (PubChem CID 176931694) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine
PubChem CID176931694
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine
SMILESC=CCCNCC1CN(CCOCCNC)CCO1
InChIInChI=1S/C14H29N3O2/c1-3-4-5-16-12-14-13-17(8-11-19-14)7-10-18-9-6-15-2/h3,14-16H,1,4-13H2,2H3
InChIKeyCXXMNZSBHLVDPO-UHFFFAOYSA-N
XLogP0.09
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine?
The IUPAC name of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine (CID 176931694) is N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine.
What is the SMILES notation for N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine?
The canonical SMILES for N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine is C=CCCNCC1CN(CCOCCNC)CCO1.
What is the InChIKey of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine?
The InChIKey is CXXMNZSBHLVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-4-5-16-12-14-13-17(8-11-19-14)7-10-18-9-6-15-2/h3,14-16H,1,4-13H2,2H3.
What are the key properties of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine?
N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine has a molecular weight of 271.40 g/mol, XLogP of 0.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]but-3-en-1-amine is sourced from PubChem (CID 176931694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).