N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C17H32N2O — CID 43222685

IUPACN-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCCCN3CCOCC3)CCC2C1
InChIInChI=1S/C17H32N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h15-18H,1-14H2
InChIKeyMGMRHCDWTRVNOL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43222685) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43222685
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCCCN3CCOCC3)CCC2C1
InChIInChI=1S/C17H32N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h15-18H,1-14H2
InChIKeyMGMRHCDWTRVNOL-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43222685) is N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC2CC(NCCCN3CCOCC3)CCC2C1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is MGMRHCDWTRVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h15-18H,1-14H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 5 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)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43222685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).