[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine

C16H30N2O — CID 79856782

IUPAC[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine
SMILESCC1(C)CCCC1(CN)N1CCOC2CCCCC21
InChIInChI=1S/C16H30N2O/c1-15(2)8-5-9-16(15,12-17)18-10-11-19-14-7-4-3-6-13(14)18/h13-14H,3-12,17H2,1-2H3
InChIKeyCNJHSQSDDGVLSG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.54
Rot. Bonds2

About [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine

[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine (PubChem CID 79856782) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine
PubChem CID79856782
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine
SMILESCC1(C)CCCC1(CN)N1CCOC2CCCCC21
InChIInChI=1S/C16H30N2O/c1-15(2)8-5-9-16(15,12-17)18-10-11-19-14-7-4-3-6-13(14)18/h13-14H,3-12,17H2,1-2H3
InChIKeyCNJHSQSDDGVLSG-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine
CID 63335447
[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
CID 79847388
[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,4-dimethylthian-3-yl]methanamine
CID 102725709
[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79836663
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
[1-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79858011
2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol
CID 79587643
[2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79834112
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355
[1-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857901
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)azetidin-3-yl]acetic acid
CID 107141752

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine?
The IUPAC name of [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine (CID 79856782) is [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine is CC1(C)CCCC1(CN)N1CCOC2CCCCC21.
What is the InChIKey of [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine?
The InChIKey is CNJHSQSDDGVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2)8-5-9-16(15,12-17)18-10-11-19-14-7-4-3-6-13(14)18/h13-14H,3-12,17H2,1-2H3.
What are the key properties of [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine?
[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine has a molecular weight of 266.43 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine is sourced from PubChem (CID 79856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).