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

C16H29NO — CID 54943329

IUPACN-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC(CNC2CCC3CCCCC3C2)OC1
InChIInChI=1S/C16H29NO/c1-2-6-14-11-15(9-8-13(14)5-1)17-12-16-7-3-4-10-18-16/h13-17H,1-12H2
InChIKeyUHXARVRBSGNTOL-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds3

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

N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 54943329) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID54943329
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC(CNC2CCC3CCCCC3C2)OC1
InChIInChI=1S/C16H29NO/c1-2-6-14-11-15(9-8-13(14)5-1)17-12-16-7-3-4-10-18-16/h13-17H,1-12H2
InChIKeyUHXARVRBSGNTOL-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 14675476
N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222685
N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222860
N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223210
N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43225563
2,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 43403664
N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43435336
N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine
CID 43765410
N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43778403
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxan-4-amine
CID 43778518
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 54893851
N-(oxan-3-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 54905881

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 54943329) is N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC(CNC2CCC3CCCCC3C2)OC1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is UHXARVRBSGNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-6-14-11-15(9-8-13(14)5-1)17-12-16-7-3-4-10-18-16/h13-17H,1-12H2.
What are the key properties of N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(oxan-2-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 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 54943329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).