N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine

C14H26N2O — CID 3152141

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine
SMILESC1=CCC(CNCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16/h1-2,14-15H,3-13H2
InChIKeyQDBFOYVRKFPXBU-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 3152141) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID3152141
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine
SMILESC1=CCC(CNCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16/h1-2,14-15H,3-13H2
InChIKeyQDBFOYVRKFPXBU-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.65
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)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine (CID 3152141) is N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine is C1=CCC(CNCCCN2CCOCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is QDBFOYVRKFPXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16/h1-2,14-15H,3-13H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.65, 6 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)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3152141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).