N-(2-morpholin-4-ylethyl)hept-1-en-4-amine

C13H26N2O — CID 4712394

IUPACN-(2-morpholin-4-ylethyl)hept-1-en-4-amine
SMILESC=CCC(CCC)NCCN1CCOCC1
InChIInChI=1S/C13H26N2O/c1-3-5-13(6-4-2)14-7-8-15-9-11-16-12-10-15/h3,13-14H,1,4-12H2,2H3
InChIKeyZPVVTADIGFKGPJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)hept-1-en-4-amine

N-(2-morpholin-4-ylethyl)hept-1-en-4-amine (PubChem CID 4712394) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)hept-1-en-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)hept-1-en-4-amine
PubChem CID4712394
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-morpholin-4-ylethyl)hept-1-en-4-amine
SMILESC=CCC(CCC)NCCN1CCOCC1
InChIInChI=1S/C13H26N2O/c1-3-5-13(6-4-2)14-7-8-15-9-11-16-12-10-15/h3,13-14H,1,4-12H2,2H3
InChIKeyZPVVTADIGFKGPJ-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-ylethyl)hept-1-en-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-Ethoxyethyl)-3-prop-2-enylpiperazine
CID 57324690
N-(3-morpholin-4-ylpropyl)pent-4-en-1-amine
CID 64316038
N-(2-morpholin-4-ylethyl)pent-4-en-1-amine
CID 64316703
3-Morpholin-4-yloct-7-en-1-amine
CID 70245026
2,3-Bis(prop-2-enyl)morpholine
CID 118117583
(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
CID 130179835
2-Morpholin-4-ylpent-1-en-3-amine
CID 144311197
2,3-Bis(prop-2-enyl)morpholin-2-amine
CID 174488744
1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine
CID 176675845
N-(2-morpholin-4-ylethyl)dec-1-en-4-amine
CID 4711923
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
CID 4711961
N-(3-morpholin-4-ylpropyl)dec-1-en-4-amine
CID 4711962

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)hept-1-en-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)hept-1-en-4-amine (CID 4712394) is N-(2-morpholin-4-ylethyl)hept-1-en-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)hept-1-en-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)hept-1-en-4-amine is C=CCC(CCC)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)hept-1-en-4-amine?
The InChIKey is ZPVVTADIGFKGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-13(6-4-2)14-7-8-15-9-11-16-12-10-15/h3,13-14H,1,4-12H2,2H3.
What are the key properties of N-(2-morpholin-4-ylethyl)hept-1-en-4-amine?
N-(2-morpholin-4-ylethyl)hept-1-en-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)hept-1-en-4-amine is sourced from PubChem (CID 4712394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).