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

C16H30N2O — CID 43222860

IUPACN-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCCN3CCOCC3)CCC2C1
InChIInChI=1S/C16H30N2O/c1-2-4-15-13-16(6-5-14(15)3-1)17-7-8-18-9-11-19-12-10-18/h14-17H,1-13H2
InChIKeyOINKOIBOFWBIRG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43222860) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43222860
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCCN3CCOCC3)CCC2C1
InChIInChI=1S/C16H30N2O/c1-2-4-15-13-16(6-5-14(15)3-1)17-7-8-18-9-11-19-12-10-18/h14-17H,1-13H2
InChIKeyOINKOIBOFWBIRG-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43222860) is N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC2CC(NCCN3CCOCC3)CCC2C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is OINKOIBOFWBIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-4-15-13-16(6-5-14(15)3-1)17-7-8-18-9-11-19-12-10-18/h14-17H,1-13H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43222860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).