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

C16H29NO — CID 54905881

IUPACN-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1COCC(CNC2CCC3CCCCC3C2)C1
InChIInChI=1S/C16H29NO/c1-2-6-15-10-16(8-7-14(15)5-1)17-11-13-4-3-9-18-12-13/h13-17H,1-12H2
InChIKeyNQNOWOKQCPIIKH-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds3

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

N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 54905881) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID54905881
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1COCC(CNC2CCC3CCCCC3C2)C1
InChIInChI=1S/C16H29NO/c1-2-6-15-10-16(8-7-14(15)5-1)17-11-13-4-3-9-18-12-13/h13-17H,1-12H2
InChIKeyNQNOWOKQCPIIKH-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 54905881) is N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1COCC(CNC2CCC3CCCCC3C2)C1.
What is the InChIKey of N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is NQNOWOKQCPIIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-6-15-10-16(8-7-14(15)5-1)17-11-13-4-3-9-18-12-13/h13-17H,1-12H2.
What are the key properties of N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 54905881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).