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

C15H27NO — CID 14675476

IUPACN-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1COC(CNC2CCC3CCCCC3C2)C1
InChIInChI=1S/C15H27NO/c1-2-5-13-10-14(8-7-12(13)4-1)16-11-15-6-3-9-17-15/h12-16H,1-11H2
InChIKeyQNKOUEYYLQQNIR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 14675476) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID14675476
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1COC(CNC2CCC3CCCCC3C2)C1
InChIInChI=1S/C15H27NO/c1-2-5-13-10-14(8-7-12(13)4-1)16-11-15-6-3-9-17-15/h12-16H,1-11H2
InChIKeyQNKOUEYYLQQNIR-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
4-tert-butyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 14652957
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 17604570
3-methyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 17604571
4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 26458392
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 26458394
4-ethyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 40515071
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 40515553
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 40515555
N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43111522
4-ethyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 43179161

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 14675476) is N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1COC(CNC2CCC3CCCCC3C2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is QNKOUEYYLQQNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-5-13-10-14(8-7-12(13)4-1)16-11-15-6-3-9-17-15/h12-16H,1-11H2.
What are the key properties of N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 14675476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).