N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine

C14H28N2O — CID 4712416

IUPACN-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
SMILESC=CCC(CCC)NCCCN1CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-6-14(7-4-2)15-8-5-9-16-10-12-17-13-11-16/h3,14-15H,1,4-13H2,2H3
InChIKeyNUDLMWMNTLMYGO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine

N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine (PubChem CID 4712416) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
PubChem CID4712416
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
SMILESC=CCC(CCC)NCCCN1CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-6-14(7-4-2)15-8-5-9-16-10-12-17-13-11-16/h3,14-15H,1,4-13H2,2H3
InChIKeyNUDLMWMNTLMYGO-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914589
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
3,5-Bis(prop-2-enyl)morpholine
CID 118117972
4-Morpholin-4-ylcyclohex-2-en-1-amine
CID 126490186
3-But-3-enylmorpholine
CID 131027298
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611
Hex-1-ene;morpholine
CID 159835251
N-[(3R)-2,3-dihydrofuran-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157129
N-(2-morpholin-4-ylethyl)dec-1-en-4-amine
CID 4711923

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine (CID 4712416) is N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine is C=CCC(CCC)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine?
The InChIKey is NUDLMWMNTLMYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-6-14(7-4-2)15-8-5-9-16-10-12-17-13-11-16/h3,14-15H,1,4-13H2,2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine?
N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine is sourced from PubChem (CID 4712416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).