N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine

C13H24N2O — CID 7015371

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine
SMILESC1=CC[C@H](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/t13-/m0/s1
InChIKeyLTTZZFLHFAMTIU-ZDUSSCGKSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds5

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 7015371) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID7015371
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine
SMILESC1=CC[C@H](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/t13-/m0/s1
InChIKeyLTTZZFLHFAMTIU-ZDUSSCGKSA-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-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine (CID 7015371) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine is C1=CC[C@H](CNCCN2CCOCC2)CC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is LTTZZFLHFAMTIU-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-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-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 7015371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).