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

C15H27NO — CID 43778518

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine
SMILESC1CCC2CC(NC3CCOCC3)CCC2C1
InChIInChI=1S/C15H27NO/c1-2-4-13-11-15(6-5-12(13)3-1)16-14-7-9-17-10-8-14/h12-16H,1-11H2
InChIKeyIRQUQPCUOPCURE-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds2

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

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine (PubChem CID 43778518) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine
PubChem CID43778518
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine
SMILESC1CCC2CC(NC3CCOCC3)CCC2C1
InChIInChI=1S/C15H27NO/c1-2-4-13-11-15(6-5-12(13)3-1)16-14-7-9-17-10-8-14/h12-16H,1-11H2
InChIKeyIRQUQPCUOPCURE-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine (CID 43778518) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine is C1CCC2CC(NC3CCOCC3)CCC2C1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine?
The InChIKey is IRQUQPCUOPCURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-4-13-11-15(6-5-12(13)3-1)16-14-7-9-17-10-8-14/h12-16H,1-11H2.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine is sourced from PubChem (CID 43778518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).