N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine

C13H24N2O — CID 3152374

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine
SMILESC1=CCC(CNCCN2CCOCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2
InChIKeyLTTZZFLHFAMTIU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine (PubChem CID 3152374) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine
PubChem CID3152374
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine
SMILESC1=CCC(CNCCN2CCOCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2
InChIKeyLTTZZFLHFAMTIU-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine (CID 3152374) is N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine is C1=CCC(CNCCN2CCOCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine?
The InChIKey is LTTZZFLHFAMTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 3152374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).